(3S)-1-(Phenylmethyl)-3-pyrrolidinol

C₁₁H₁₅NOCAS 101385-90-4177.25 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₁₁H₁₅NO
Molar mass: 177.25 g/mol
Exact mass: 177.1154 Da
Boiling point: 89–90 °C (at 1 Torr)
logP: 1.25Crippen estimate
Polar surface area: 23.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation89.4% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

101385-90-4

SMILES

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

InChIKey

YQMXOIAIYXXXEE-NSHDSACASA-N

InChI

InChI=1S/C11H15NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2/t11-/m0/s1

Weigh it out

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

Names and synonyms

13 names · show all

3-Pyrrolidinol, 1-(phenylmethyl)-, (3S)-
3-Pyrrolidinol, 1-(phenylmethyl)-, (S)-
S-(-)-1-Benzyl-3-hydroxypyrrolidine
(S)-1-(Phenylmethyl)-3-pyrrolidinol
(S)-1-Benzyl-3-hydroxypyrrolidine
1-Benzyl-3(S)-pyrrolidinol
(S)-1-Benzyl-3-pyrrolidinol
(S)-N-Benzyl-3-hydroxypyrrolidine
(3S)-N-Benzyl-3-hydroxypyrrolidine
(3S)-1-Benzylpyrrolidin-3-ol
(-)-(3S)-1-(Phenylmethyl)-3-pyrrolidinol
3-Pyrrolidinol 1-(phenylmethyl)-, (3S)-
(S)-(-)-1-Benzyl-3-pyrrolidinol

Work with (3S)-1-(Phenylmethyl)-3-pyrrolidinol

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.

(R)-(+)-1-Benzyl-3-pyrrolidinol101930-07-8Enantiomer 1-(Phenylmethyl)-3-pyrrolidinol775-15-5Stereo not defined

Similar compounds

1-Benzyl-3-hydroxypiperidine14813-01-581 % similar (S)-1-Benzyl-3-hydroxypiperidine91599-79-081 % similar (3R)-1-(Phenylmethyl)-3-piperidinol91599-81-481 % similar 1-Benzylpiperidin-4-ol4727-72-479 % similar 1-Benzyl-3-piperidinol hydrochloride105973-51-174 % similar N-Benzyl-3-hydroxyazetidine54881-13-972 % similar 1-Benzylpyrrolidin-3-yl-methanol5731-17-960 % similar (3S)-(+)-1-Benzyl-3-aminopyrrolidine114715-38-759 % similar

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

Same formula

2-(3-Methoxyphenyl)pyrrolidine103861-77-4 4-N-Butylbenzamide107377-07-1 4-(Diethylamino)benzaldehyde120-21-8 N,N-Diethylbenzamide1696-17-9 1-Propanol,2-methyl-2-[(phenylmethylene)amino]-22563-90-2 4-Phenoxypiperidine3202-33-3 N-tert-Butyl-α-phenylnitrone3376-24-7

Elsewhere

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