1-Benzylpyrrolidin-3-yl-methanol

C₁₂H₁₇NOCAS 5731-17-9191.27 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: 1.50Crippen estimate
Polar surface area: 23.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

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

5731-17-9

SMILES

C1CN(CC1CO)CC2=CC=CC=C2

InChIKey

QPQQBJDSKDWQMJ-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

(1-Benzylpyrrolidin-3-yl)methanol

Work with 1-Benzylpyrrolidin-3-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

1-(Phenylmethyl)-4-piperidinemethanol67686-01-581 % similar (3S)-1-(Phenylmethyl)-3-pyrrolidinol101385-90-460 % similar (R)-(+)-1-Benzyl-3-pyrrolidinol101930-07-860 % similar 1-(Phenylmethyl)-3-pyrrolidinol775-15-560 % similar 4-(Phenylmethyl)-2-morpholinemethanol40987-24-456 % similar (3S)-(+)-1-Benzyl-3-aminopyrrolidine114715-38-756 % similar (3R)-1-Benzylpyrrolidin-3-amine114715-39-856 % similar 1-Benzyl-3-aminopyrrolidine18471-40-456 % 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 [(2S)-1-Benzylpyrrolidin-2-yl]methanol53912-80-4 4'-Diethylaminoacetophenone5520-66-1 1-(3-Hydroxybenzyl)piperidine73279-04-6

Elsewhere

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