(S)-1-Benzyl-3-hydroxypiperidine
Properties
- Molecular formula
- C12H17NO
- Molar mass
- 191.27 g/mol
- Exact mass
- 191.1310 Da
- logP
- 1.64Crippen estimate
- Polar surface area
- 23.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
- Stereocentres
- Sin SMILES atom order
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 39 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
91599-79-0SMILES
C1C[C@@H](CN(C1)CC2=CC=CC=C2)OInChIKey
UTTCOAGPVHRUFO-LBPRGKRZSA-NInChI
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-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Work with (S)-1-Benzyl-3-hydroxypiperidine
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.
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.