1-Benzylpiperidin-3-amine

C₁₂H₁₈N₂CAS 60407-35-4190.29 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₂H₁₈N₂
Molar mass: 190.29 g/mol
Exact mass: 190.1470 Da
logP: 1.61Crippen estimate
Polar surface area: 29.3 Å²
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. Search the SDS library

Identifiers

CAS number

60407-35-4

SMILES

C1CC(CN(C1)CC2=CC=CC=C2)N

InChIKey

HARWNWOLWMTQCC-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N2/c13-12-7-4-8-14(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,13H2

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

Names and synonyms

1 names

1-Benzyl-3-aminopiperidine

Work with 1-Benzylpiperidin-3-amine

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.

(3S)-1-(Phenylmethyl)-3-piperidinamine168466-85-1Defined stereoisomer (R)-3-Amino-1-benzylpiperidine168466-84-0Defined stereoisomer (3S)-1-(Phenylmethyl)-3-piperidinamine dihydrochloride307532-02-1Salt, defined stereoisomer

Similar compounds

(3S)-(+)-1-Benzyl-3-aminopyrrolidine114715-38-781 % similar (3R)-1-Benzylpyrrolidin-3-amine114715-39-881 % similar 1-Benzyl-3-aminopyrrolidine18471-40-481 % similar (S)-3-Amino-1-benzylpyrrolidine dihydrochloride131852-54-574 % similar 4-Amino-1-benzylpiperidine50541-93-064 % similar 1-Benzyl-3-hydroxypiperidine14813-01-561 % similar (3R)-1-(Phenylmethyl)-3-piperidinol91599-81-461 % similar 4-Amino-1-benzylpiperidine dihydrochloride1205-72-758 % similar

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

Same formula

1-(2,6-Dimethylphenyl)piperazine1012-91-5 1-(2,3-Dimethylphenyl)piperazine1013-22-5 1-(2,5-Dimethylphenyl)piperazine1013-25-8 1-(2,4-Dimethylphenyl)piperazine1013-76-9 1-(3,4-Dimethylphenyl)piperazine1014-05-7 (3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine169749-99-9

Elsewhere

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