[(2S)-1-Benzylpyrrolidin-2-yl]methanol

C₁₂H₁₇NOCAS 53912-80-4191.27 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: 3
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

53912-80-4

SMILES

C1C[C@H](N(C1)CC2=CC=CC=C2)CO

InChIKey

ZAIQBJPTOXDDKA-LBPRGKRZSA-N

InChI

InChI=1S/C12H17NO/c14-10-12-7-4-8-13(12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2/t12-/m0/s1

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Names and synonyms

1 names

(S)-(-)-1-Benzyl-2-pyrrolidinemethanol

Work with [(2S)-1-Benzylpyrrolidin-2-yl]methanol

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

(S)-(+)-2-Dibenzylamino-3-phenyl-1-propanol111060-52-762 % similar 1-(Phenylmethyl)-4-piperidinemethanol67686-01-551 % similar N-Benzyl-L-proline31795-93-451 % similar Cbz-L-prolinol6216-63-349 % similar 4-(Phenylmethyl)-2-morpholinemethanol40987-24-445 % similar (3R)-1-(Phenylmethyl)-3-piperidinol91599-81-445 % similar 1-Benzyl-3-piperidinol hydrochloride105973-51-142 % similar 2-[Bis(phenylmethyl)amino]ethanol101-06-442 % 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-Benzyl-4-hydroxypiperidine4727-72-4 4-(Phenylmethyl)-4-piperidinol51135-96-7 4'-Diethylaminoacetophenone5520-66-1 1-Benzylpyrrolidin-3-yl-methanol5731-17-9 Butylacetanilide91-49-6

Elsewhere

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