4-(Piperidin-1-ylmethyl)aniline

C₁₂H₁₈N₂CAS 29608-05-7190.29 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₂H₁₈N₂
Molar mass: 190.29 g/mol
Exact mass: 190.1470 Da
logP: 2.25Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled25% of notifiers
H302 Harmful if swallowed75% of notifiers
H312 Harmful in contact with skin75% of notifiers
H314 Causes severe skin burns and eye damage75% of notifiers
H319 Causes serious eye irritation25% of notifiers
H332 Harmful if inhaled75% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 4 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, P317, P319, P321, P330, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

29608-05-7

SMILES

C1CCN(CC1)CC2=CC=C(C=C2)N

InChIKey

DRYFDUUAYSVNSN-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N2/c13-12-6-4-11(5-7-12)10-14-8-2-1-3-9-14/h4-7H,1-3,8-10,13H2

Weigh it out

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

Names and synonyms

1 names

4-Piperidin-1-ylmethyl-phenylamine

Work with 4-(Piperidin-1-ylmethyl)aniline

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

4-(Morpholinomethyl)aniline51013-67-366 % similar 1-Benzylpiperidine2905-56-859 % similar 4-(4-Benzylpiperazin-1-yl)aniline16154-69-153 % similar 4-(Piperidin-1-yl)aniline2359-60-652 % similar 4-Amino-N,N-dimethylbenzenemethanamine6406-74-252 % similar 4,4′-Ethylenedianiline621-95-448 % similar 1-(3-Hydroxybenzyl)piperidine73279-04-647 % similar 4,4′-Methylenedianiline101-77-946 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(2,6-Dimethylphenyl)piperazine1012-91-5 1-(2,3-Dimethylphenyl)piperazine1013-22-5 1-(2,5-Dimethylphenyl)piperazine1013-25-8 1-(2,4-Dimethylphenyl)piperazine1013-76-9 1-(3,4-Dimethylphenyl)piperazine1014-05-7 (R)-3-Amino-1-benzylpiperidine168466-84-0 (3S)-1-(Phenylmethyl)-3-piperidinamine168466-85-1 (3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine169749-99-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook