(S)-tert-Butyl 3-aminopiperidine-1-carboxylate

C₁₀H₂₀N₂O₂CAS 625471-18-3200.28 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₀H₂₀N₂O₂
Molar mass: 200.28 g/mol
Exact mass: 200.1525 Da
logP: 1.34Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0
Stereocentres: Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed85.4% of notifiers
H314 Causes severe skin burns and eye damage12.5% of notifiers
H315 Causes skin irritation87.5% of notifiers
H319 Causes serious eye irritation87.5% of notifiers
H335 May cause respiratory irritation85.4% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

625471-18-3

SMILES

CC(C)(C)OC(=O)N1CCC[C@H](N)C1

InChIKey

AKQXKEBCONUWCL-QMMMGPOBSA-N

InChI

InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h8H,4-7,11H2,1-3H3/t8-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all

1-Piperidinecarboxylic acid, 3-amino-, 1,1-dimethylethyl ester, (3S)-
1,1-Dimethylethyl (3S)-3-aminopiperidine-1-carboxylate
(S)-3-Amino-1-boc-piperidine
tert-Butyl (3S)-3-aminopiperidine-1-carboxylate
(S)-3-Aminopiperidine-1-carboxylic acid tert-butyl ester
(3S)-Aminopiperidine-1-carboxylic acid tert-butyl ester
(S)-1-tert-Butoxycarbonyl-3-aminopiperidine
3-Aminopiperidine-1-carboxylic acid (S)-tert-butyl ester
tert-Butyl (S)-3-aminopiperidine-1-carboxylate
(S)-3-Amino-1-(tert-butoxycarbonyl)piperidine
(S)-1-Boc-3-aminopiperidine
(S)-(+)-1-Boc-3-aminopiperidine
(S)-tert-Butyl3-aminopiperidinecarboxylate

Work with (S)-tert-Butyl 3-aminopiperidine-1-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-1-Boc-3-aminopiperidine188111-79-7Enantiomer 1-Boc-3-aminopiperidine144243-24-3Stereo not defined N-Boc-3-aminopiperidine184637-48-7Stereo not defined

Similar compounds

(S)-(-)-1-tert-Butoxycarbonyl-3-aminopyrrolidine147081-44-583 % similar (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate147081-49-083 % similar tert-Butyl 3-aminopyrrolidine-1-carboxylate186550-13-083 % similar 1-Boc-hexahydro-1H-azepin-4-amine196613-57-778 % similar 1-Boc-3-(amino)azetidine193269-78-271 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-768 % similar tert-Butyl (3R)-3-(aminomethyl)piperidine-1-carboxylate140645-23-466 % similar (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-566 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

tert-Butyl n-((1r,3r)-3-aminocyclopentyl)carbamate1009075-44-8 tert-Butyl3-((methylamino)methyl)azetidine-1-carboxylate1049730-81-5 3-(N-Boc-methylaminomethyl)azetidine1053655-53-0 tert-Butyl 1,4-diazepane-1-carboxylate112275-50-0 (S)-1-N-Boc-2-(aminomethyl)pyrrolidine119020-01-8 tert-Butyl 3-methylpiperazine-1-carboxylate120737-59-9 tert-Butyl 2-methylpiperazine-1-carboxylate120737-78-2

Elsewhere

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