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

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

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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

Similar compounds

(3S)-1-(Phenylmethyl)-3-piperidinamine dihydrochloride307532-02-191 % similar (3S)-(+)-1-Benzyl-3-aminopyrrolidine114715-38-781 % similar (3R)-1-Benzylpyrrolidin-3-amine114715-39-881 % 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 1-Benzyl-3-piperidinol hydrochloride105973-51-156 % 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 1-(2-Pyridinyl)cyclohexanemethanamine204067-08-3 3-Methyl-1-(phenylmethyl)piperazine3138-90-7 1-(2-Ethylphenyl)piperazine40224-10-0

Elsewhere

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