(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

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

Similar compounds

1-Benzyl-3-piperidinol hydrochloride105973-51-191 % similar (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 (3S)-1-(Phenylmethyl)-3-piperidinamine168466-85-161 % similar (3S)-1-(Phenylmethyl)-3-piperidinamine dihydrochloride307532-02-156 % similar 1-Benzylpiperidine2905-56-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Deet134-62-3 1-Benzyl-3-hydroxypiperidine14813-01-5 1-Benzyl-4-hydroxypiperidine4727-72-4 4-(Phenylmethyl)-4-piperidinol51135-96-7 Butylacetanilide91-49-6 4-(Diethylamino)-2-methylbenzaldehyde92-14-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook