chempirical

(3S)-1-(Phenylmethyl)-3-piperidinamine

C12H18N2CAS 168466-85-1190.29 g/mol

Open in Covalent MOL file
NH2N
Primary amineTertiary 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2
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
168466-85-1
SMILES
N[C@H]1CCCN(Cc2ccccc2)C1
InChIKey
HARWNWOLWMTQCC-LBPRGKRZSA-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/t12-/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • 3-Piperidinamine, 1-(phenylmethyl)-, (3S)-
  • 3-Piperidinamine, 1-(phenylmethyl)-, (S)-
  • (S)-1-Benzyl-3-aminopiperidine
  • (S)-1-Benzylpiperidin-3-amine
  • (S)-3-Amino-1-benzylpiperidine
  • (3S)-1-Benzylpiperidin-3-amine
  • 3-Piperidinamine 1-(phenylmethyl)-, (3S)-

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

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)-3-Amino-1-benzylpiperidine168466-84-0Enantiomer (3S)-1-(Phenylmethyl)-3-piperidinamine dihydrochloride307532-02-1Salt

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 1-(2-Pyridinyl)cyclohexanemethanamine204067-08-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook