(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

Warning
Irritant (GHS07)

Aggregated from 5 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
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 1-Benzylpiperidin-3-amine60407-35-4Stereo not defined (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 1-Benzyl-4-piperidylamine50541-93-064 % similar 1-Benzyl-3-hydroxypiperidine14813-01-561 % similar (S)-1-Benzyl-3-hydroxypiperidine91599-79-061 % similar (3R)-1-(Phenylmethyl)-3-piperidinol91599-81-461 % 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

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