3-(Aminomethyl)piperidine

C₆H₁₄N₂CAS 23099-21-0114.19 g/mol

Open in Covalent MOL file

Primary amine Secondary amine

Properties

Molecular formula: C₆H₁₄N₂
Molar mass: 114.19 g/mol
Exact mass: 114.1157 Da
Boiling point: 89 °C (at 18 Torr)
logP: -0.06Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H227 Combustible liquid33.3% of notifiers
H314 Causes severe skin burns and eye damage66.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

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

Precautionary statements

P210, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

23099-21-0

SMILES

NCC1CCCNC1

InChIKey

IPOVLZSJBYKHHU-UHFFFAOYSA-N

InChI

InChI=1S/C6H14N2/c7-4-6-2-1-3-8-5-6/h6,8H,1-5,7H2

Weigh it out

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

Names and synonyms

6 names

3-Piperidinemethanamine
Piperidine, 3-(aminomethyl)-
(3-Piperidinylmethyl)amine
1-(Piperidin-3-yl)methanamine
(Piperidin-3-yl)methanamine
Piperidine-3-methylamine

Work with 3-(Aminomethyl)piperidine

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

Similar compounds

(3S)-Piperidin-3-ylmethanol144539-77-554 % similar 3-Piperidinemethanol4606-65-954 % similar Cyclobutanemethanamine4415-83-250 % similar 4-(Aminomethyl)piperidine7144-05-050 % similar Cyclohexanemethanamine3218-02-848 % similar (3R)-Piperidin-3-amine127294-73-946 % similar 3-Aminopiperidine54012-73-646 % similar (S)-Piperidin-3-amine80918-66-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dimethylpiperazine106-55-8 1,4-Dimethylpiperazine106-58-1 2,6-Dimethylpiperazine108-49-6 trans-1,2-Diaminocyclohexane1121-22-8 1-Methyl-3-pyrrolidinemethanamine13005-11-3 (3S)-(-)-3-(Dimethylamino)pyrrolidine132883-44-4 (3R)-(+)-3-(Dimethylamino)pyrrolidine132958-72-6 2-Ethylpiperazine13961-37-0

Elsewhere

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