tert-Butyl N-[(3S)-piperidin-3-yl]carbamate

C₁₀H₂₀N₂O₂CAS 216854-23-8200.28 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₀H₂₀N₂O₂
Molar mass: 200.28 g/mol
Exact mass: 200.1525 Da
logP: 1.26Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage83.7% of notifiers
H319 Causes serious eye irritation16.3% of notifiers
H335 May cause respiratory irritation98% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

216854-23-8

SMILES

CC(C)(C)OC(=O)N[C@H]1CCCNC1

InChIKey

WUOQXNWMYLFAHT-QMMMGPOBSA-N

InChI

InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m0/s1

Weigh it out

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

Names and synonyms

1 names

(S)-3-N-Boc-aminopiperidine

Work with tert-Butyl N-[(3S)-piperidin-3-yl]carbamate

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)-3-(Boc-amino)piperidine309956-78-3Enantiomer 3-(Boc-amino)piperidine172603-05-3Stereo not defined

Similar compounds

(S)-3-(Boc-amino)pyrrolidine122536-76-982 % similar 3-N-Boc-aminopyrrolidine99724-19-382 % similar 3-N-Boc-amino-azetidine91188-13-571 % similar tert-Butyl N-(azetidin-3-yl)carbamate hydrochloride217806-26-365 % similar 3-N-Boc-aminomethylpiperidine142643-29-663 % similar 2-Boc-aminomethylpyrrolidine149649-58-160 % similar tert-Butyl N-(((2R)-pyrrolidin-2-yl)methyl)carbamate719999-54-960 % similar exo-3-Boc-aminotropane132234-68-556 % 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 1-Boc-3-aminopiperidine144243-24-3

Elsewhere

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