1-(Phenylmethyl)-4-piperidinemethanol

C₁₃H₁₉NOCAS 67686-01-5205.30 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₁₃H₁₉NO
Molar mass: 205.30 g/mol
Exact mass: 205.1467 Da
Boiling point: 122–123 °C (at 0.3 Torr)
logP: 1.89Crippen estimate
Polar surface area: 23.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% 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

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

67686-01-5

SMILES

OCC1CCN(Cc2ccccc2)CC1

InChIKey

FLQPYEOKVZYXRL-UHFFFAOYSA-N

InChI

InChI=1S/C13H19NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2

Weigh it out

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

Names and synonyms

8 names

4-Piperidinemethanol, 1-(phenylmethyl)-
1-Benzyl-4-(hydroxymethyl)piperidine
1-Benzyl-4-piperidinemethanol
(1-Benzyl-4-piperidyl)methanol
N-(Phenylmethyl)piperidine-4-methanol
4-Hydroxymethyl-1-(phenylmethyl)piperidine
(1-Benzylpiperidin-4-yl)methanol
N-Benzyl-4-hydroxymethylpiperidine

Work with 1-(Phenylmethyl)-4-piperidinemethanol

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

1-Benzylpyrrolidin-3-yl-methanol5731-17-981 % similar (1-Benzyl-4-piperidinyl)methylamine88915-26-864 % similar 1-Benzylpiperidin-4-ol4727-72-463 % similar 2-(1-Benzylpiperidin-4-yl)ethan-1-amine86945-25-762 % similar 2,2'-((Phenylmethyl)imino)bisethanol101-32-658 % similar 1-Benzyl-4-piperidylamine50541-93-058 % similar 1-Benzyl-4-chloropiperidine67848-71-958 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-557 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-[(3R,4R)-3,4-Dimethyl-4-piperidinyl]phenol119193-19-0 (1S,2R)-1-Phenyl-2-(1-pyrrolidinyl)propan-1-ol123620-80-4 N,N-Bis(1-methylethyl)benzamide20383-28-2 (1R,2R)-trans-2-Benzyloxy-cyclohexylamine216394-06-8 (1S,2S)-trans-2-Benzyloxy-cyclohexylamine216394-07-9 trans-2-Benzylamino-1-cyclohexanol40571-86-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook