1,1-Dimethylethyl N-[(3R)-3-piperidinylmethyl]carbamate

C₁₁H₂₂N₂O₂CAS 879275-33-9214.31 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₁H₂₂N₂O₂
Molar mass: 214.31 g/mol
Exact mass: 214.1681 Da
logP: 1.72Crippen estimate
Polar surface area: 53.9 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2
Stereocentres: Rin SMILES atom order

Hazards

Danger

H314 Causes severe skin burns and eye damage33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H318 Causes serious eye damage66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

879275-33-9

SMILES

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

InChIKey

KHPQHXGYYXYTDN-SECBINFHSA-N

InChI

InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-9-5-4-6-12-7-9/h9,12H,4-8H2,1-3H3,(H,13,14)/t9-/m1/s1

Weigh it out

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

Names and synonyms

5 names

Carbamic acid, N-[(3R)-3-piperidinylmethyl]-, 1,1-dimethylethyl ester
Carbamic acid, [(3R)-3-piperidinylmethyl]-, 1,1-dimethylethyl ester
tert-Butyl (R)-piperidin-3-ylmethylcarbamate
(R)-tert-Butyl [[piperidin-3-yl]methyl]carbamate
(R)-tert-Butyl (piperidin-3-ylmethyl)carbamate

Work with 1,1-Dimethylethyl N-[(3R)-3-piperidinylmethyl]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.

3-N-Boc-aminomethylpiperidine142643-29-6Stereo not defined

Similar compounds

1,1-Dimethylethyl N-(hexahydro-1H-azepin-4-yl)carbamate454451-28-655 % similar (3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine122536-77-053 % similar 4-(N-Boc-amino)piperidine73874-95-049 % similar tert-Butyl (3-aminopropyl)carbamate75178-96-043 % similar 3-(Boc-amino)piperidine172603-05-343 % similar tert-Butyl N-[(3S)-piperidin-3-yl]carbamate216854-23-843 % similar (R)-3-(Boc-amino)piperidine309956-78-343 % similar 1,1-Dimethylethyl N-(4-methyl-4-piperidinyl)carbamate163271-08-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-N-Boc-4-N-methyl-aminopiperidine108612-54-0 4-(Boc-aminomethyl)piperidine135632-53-0 1,1-Dimethylethyl N-[(2S)-2-piperidinylmethyl]carbamate139004-93-6 1,1-Dimethylethyl N-[(2R)-2-piperidinylmethyl]carbamate139004-96-9 tert-Butyl (3R)-3-(aminomethyl)piperidine-1-carboxylate140645-23-4 (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-5 tert-Butyl N-((piperidin-2-yl)methyl)carbamate141774-61-0

Elsewhere

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