2-(Piperidin-1-yl)aniline

C₁₁H₁₆N₂CAS 39643-31-7176.26 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₆N₂
Molar mass: 176.26 g/mol
Exact mass: 176.1313 Da
logP: 2.26Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed83.3% of notifiers
H312 Harmful in contact with skin83.3% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled83.3% of notifiers
H335 May cause respiratory irritation16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

39643-31-7

SMILES

C1CCN(CC1)C2=CC=CC=C2N

InChIKey

OYECAJPUPWFCSL-UHFFFAOYSA-N

InChI

InChI=1S/C11H16N2/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9,12H2

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Names and synonyms

1 names

2-Piperidinoaniline

Work with 2-(Piperidin-1-yl)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

2-Morpholinoaniline5585-33-166 % similar 2-(4-Methylpiperazin-1-yl)aniline180605-36-163 % similar N-(2-Amino-4-trifluoromethylphenyl)piperidine1496-40-850 % similar 2-(Pyrrolidin-1-yl)phenol4787-77-350 % similar 2-Piperidin-1-yl-benzonitrile72752-52-450 % similar 2-(Piperidin-1-yl)benzaldehyde34595-26-148 % similar 2-(Pyrrolidin-1-yl)-5-(trifluoromethyl)aniline133184-80-247 % similar N-Phenylpiperidine4096-20-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(3S)-(+)-1-Benzyl-3-aminopyrrolidine114715-38-7 (3R)-1-Benzylpyrrolidin-3-amine114715-39-8 1-Benzyl-3-aminopyrrolidine18471-40-4 4-(Piperidin-1-yl)aniline2359-60-6 1-Benzylpiperazine2759-17-3 1-Benzylpiperazine2759-28-6 2-Mepp39512-51-1 1-(p-Tolyl)piperazine39593-08-3

Elsewhere

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