(αS)-α-(2-Methylpropyl)-2-(1-piperidinyl)benzenemethanamine

C16H26N2CAS 147769-93-5246.40 g/mol

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H2NN
Primary amineTertiary amine

Properties

Molecular formula
C16H26N2
Molar mass
246.40 g/mol
Exact mass
246.2096 Da
logP
3.72Crippen estimate
Polar surface area
29.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

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
147769-93-5
SMILES
CC(C)C[C@H](N)c1ccccc1N1CCCCC1
InChIKey
CARYLRSDNWJCJV-HNNXBMFYSA-N
InChI
InChI=1S/C16H26N2/c1-13(2)12-15(17)14-8-4-5-9-16(14)18-10-6-3-7-11-18/h4-5,8-9,13,15H,3,6-7,10-12,17H2,1-2H3/t15-/m0/s1

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Names and synonyms

7 names
  • Benzenemethanamine, α-(2-methylpropyl)-2-(1-piperidinyl)-, (αS)-
  • Benzenemethanamine, α-(2-methylpropyl)-2-(1-piperidinyl)-, (S)-
  • (S)-3-Methyl-1-(2-piperidinophenyl)-1-butylamine
  • (1S)-3-Methyl-1-[2-(piperidin-1-yl)phenyl]butan-1-amine
  • (S)-3-Methyl-1-(2-(piperidin-1-yl)phenyl)butan-1-amine
  • (s)-3-Methyl-1-[2-(1-piperidinyl)phenyl]butylamine
  • 3-Methyl-1-(2-piperidinophenyl)-1-butylamine, (S)-

Work with (αS)-α-(2-Methylpropyl)-2-(1-piperidinyl)benzenemethanamine

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.

L-Glutamic acid, N-acetyl-, compd. with (αS)-α-(2-methylpropyl)-2-(1-piperidinyl)benzenemethanamine (1:1)219921-94-5Salt

Similar compounds

2-(Piperidin-1-yl)aniline39643-31-744 % similar 2-Piperidin-1-yl-benzonitrile72752-52-441 % similar Repaglinide135062-02-139 % similar 2-(Pyrrolidin-1-yl)phenol4787-77-338 % similar 2-(Piperidin-1-yl)benzaldehyde34595-26-137 % similar N-Phenylpiperidine4096-20-234 % similar 1,2,3,4-Tetrahydro-1-naphthylamine2217-40-533 % similar (-)-1,2,3,4-Tetrahydro-1-naphthylamine23357-46-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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