1-(3-Hydroxybenzyl)piperidine

C₁₂H₁₇NOCAS 73279-04-6191.27 g/mol

Open in Covalent MOL file

Phenol Tertiary amine

Properties

Molecular formula: C₁₂H₁₇NO
Molar mass: 191.27 g/mol
Exact mass: 191.1310 Da
logP: 2.38Crippen estimate
Polar surface area: 23.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed88.4% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% 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

73279-04-6

SMILES

C1CCN(CC1)CC2=CC(=CC=C2)O

InChIKey

ORGBERFQYFWYGX-UHFFFAOYSA-N

InChI

InChI=1S/C12H17NO/c14-12-6-4-5-11(9-12)10-13-7-2-1-3-8-13/h4-6,9,14H,1-3,7-8,10H2

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Names and synonyms

1 names

3-(1-Piperidinylmethyl)phenol

Work with 1-(3-Hydroxybenzyl)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

1-Benzylpiperidine2905-56-857 % similar 3-Hydroxybenzyl alcohol620-24-650 % similar Hydrogenated cardanol501-24-649 % similar 3-Ethylphenol620-17-748 % similar 3-(3-(Piperidin-1-ylmethyl)phenoxy)propan-1-amine73278-98-548 % similar 3-Hydroxybenzeneethanol13398-94-247 % similar 4-(Piperidin-1-ylmethyl)aniline29608-05-747 % similar meta-Tyramine588-05-646 % 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 4-(Phenylmethyl)-4-piperidinol51135-96-7 [(2S)-1-Benzylpyrrolidin-2-yl]methanol53912-80-4 4'-Diethylaminoacetophenone5520-66-1 1-Benzylpyrrolidin-3-yl-methanol5731-17-9

Elsewhere

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