(3R)-1-(Phenylmethyl)-3-piperidinol

C₁₂H₁₇NOCAS 91599-81-4191.27 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₁₂H₁₇NO
Molar mass: 191.27 g/mol
Exact mass: 191.1310 Da
logP: 1.64Crippen estimate
Polar surface area: 23.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2
Stereocentres: Rin SMILES atom order

Hazards

Danger

H301 Toxic if swallowed88.6% 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 44 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

91599-81-4

SMILES

O[C@@H]1CCCN(Cc2ccccc2)C1

InChIKey

UTTCOAGPVHRUFO-GFCCVEGCSA-N

InChI

InChI=1S/C12H17NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2/t12-/m1/s1

Weigh it out

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

Names and synonyms

6 names

3-Piperidinol, 1-(phenylmethyl)-, (3R)-
3-Piperidinol, 1-(phenylmethyl)-, (R)-
(R)-1-Benzylpiperidin-3-ol
(3R)-1-Benzylpiperidin-3-ol
(R)-(-)-1-Benzyl-3-hydroxypiperidine
3-Piperidinol 1-(phenylmethyl)-, (3R)-

Work with (3R)-1-(Phenylmethyl)-3-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-1-Benzyl-3-hydroxypiperidine91599-79-0Enantiomer 1-Benzyl-3-hydroxypiperidine14813-01-5Stereo not defined 1-Benzyl-3-piperidinol hydrochloride105973-51-1Salt, stereo not defined

Similar compounds

(3S)-1-(Phenylmethyl)-3-pyrrolidinol101385-90-481 % similar (R)-(+)-1-Benzyl-3-pyrrolidinol101930-07-881 % similar 1-(Phenylmethyl)-3-pyrrolidinol775-15-581 % similar N-Benzyl-3-hydroxyazetidine54881-13-968 % similar (R)-3-Amino-1-benzylpiperidine168466-84-061 % similar (3S)-1-(Phenylmethyl)-3-piperidinamine168466-85-161 % similar 1-Benzylpiperidin-3-amine60407-35-461 % similar (3S)-1-(Phenylmethyl)-3-piperidinamine dihydrochloride307532-02-156 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

DEET134-62-3 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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