4-(Phenylmethyl)-4-piperidinol

C₁₂H₁₇NOCAS 51135-96-7191.27 g/mol

Open in Covalent MOL file

Alcohol Secondary amine

Properties

Molecular formula: C₁₂H₁₇NO
Molar mass: 191.27 g/mol
Exact mass: 191.1310 Da
logP: 1.34Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed90.7% of notifiers
H315 Causes skin irritation11.6% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation11.6% of notifiers

Aggregated from 43 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

51135-96-7

SMILES

OC1(Cc2ccccc2)CCNCC1

InChIKey

KJZBZOFESQSBCV-UHFFFAOYSA-N

InChI

InChI=1S/C12H17NO/c14-12(6-8-13-9-7-12)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2

Weigh it out

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

Names and synonyms

6 names

4-Piperidinol, 4-(phenylmethyl)-
4-Benzyl-4-hydroxypiperidine
4-Hydroxy-4-phenylmethylpiperidine
4-Hydroxy-4-benzylpiperidine
4-Benzyl-4-piperidinol
NSC 83237

Work with 4-(Phenylmethyl)-4-piperidinol

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-Hydroxy-4-phenylpiperidine40807-61-250 % similar 2-Methyl-1-phenyl-2-propanol100-86-744 % similar 4-(Hydroxymethyl)piperidin-4-ol89584-31-643 % similar 3-Benzyl-3,9-diaza-spiro[5.5]undecane189333-49-143 % similar Benzathine140-28-340 % similar 4-Phenyl-4-piperidinecarboxylic acid3627-45-039 % similar Benzylethanolamine104-63-239 % similar Neopentylbenzene1007-26-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

DEET134-62-3 1-Benzyl-3-hydroxypiperidine14813-01-5 4'-tert-Butylacetanilide20330-45-4 1-Benzylpiperidin-4-ol4727-72-4 [(2S)-1-Benzylpyrrolidin-2-yl]methanol53912-80-4 4'-Diethylaminoacetophenone5520-66-1 1-Benzylpyrrolidin-3-yl-methanol5731-17-9 1-(3-Hydroxybenzyl)piperidine73279-04-6

Elsewhere

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