1-Benzyl-3-piperidinol hydrochloride

C12H18ClNOCAS 105973-51-1227.73 g/mol

Open in Covalent MOL file
NOHHCl
AlcoholTertiary amine

Properties

Molecular formula
C12H18ClNO
Molar mass
227.73 g/mol
Exact mass
227.1077 Da
logP
2.07Crippen estimate
Polar surface area
23.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

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

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Identifiers

CAS number
105973-51-1
SMILES
C1CC(CN(C1)CC2=CC=CC=C2)O.Cl
InChIKey
PHJDPNCYJSWYGY-UHFFFAOYSA-N
InChI
InChI=1S/C12H17NO.ClH/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;1H

Weigh it out

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

Work with 1-Benzyl-3-piperidinol hydrochloride

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.

1-Benzyl-3-hydroxypiperidine14813-01-5Free base (3R)-1-(Phenylmethyl)-3-piperidinol91599-81-4Free base, defined stereoisomer (S)-1-Benzyl-3-hydroxypiperidine91599-79-0Free base, defined stereoisomer

Similar compounds

(3S)-1-(Phenylmethyl)-3-pyrrolidinol101385-90-474 % similar (R)-(+)-1-Benzyl-3-pyrrolidinol101930-07-874 % similar 1-(Phenylmethyl)-3-pyrrolidinol775-15-574 % similar (3S)-1-(Phenylmethyl)-3-piperidinamine dihydrochloride307532-02-164 % similar N-Benzyl-3-hydroxyazetidine54881-13-962 % similar 1-Benzylpiperidin-4-ol4727-72-458 % similar (R)-3-Amino-1-benzylpiperidine168466-84-056 % similar (3S)-1-(Phenylmethyl)-3-piperidinamine168466-85-156 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(±)-Tulobuterol41570-61-0

Elsewhere

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