chempirical

1-Benzyl-4-piperidylamine

C12H18N2CAS 50541-93-0190.29 g/mol

Open in Covalent MOL file
H2NN
Primary amineTertiary amine

Properties

Molecular formula
C12H18N2
Molar mass
190.29 g/mol
Exact mass
190.1470 Da
Density
1.01 g/mL
Melting point
121–122 °C
logP
1.61Crippen estimate
Polar surface area
29.3 Ų
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
50541-93-0
SMILES
NC1CCN(Cc2ccccc2)CC1
InChIKey
YUBDLZGUSSWQSS-UHFFFAOYSA-N
InChI
InChI=1S/C12H18N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2

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Names and synonyms

13 names · show all
  • 4-Amino-1-benzylpiperidine
  • 4-Piperidinamine, 1-(phenylmethyl)-
  • 1-(Phenylmethyl)-4-piperidinamine
  • 1-Benzyl-4-aminopiperidine
  • 4-Amino-1-(phenylmethyl)piperidine
  • 4-Amino-N-benzylpiperidine
  • 1-Benzyl-4-piperidinamine
  • N-Benzyl-4-aminopiperidine
  • 1-Benzyl-4-piperidinylamine
  • N-Benzyl-4-piperidinamine
  • 2-Amino-1-benzylpiperidine
  • (1-Benzylpiperidin-4-yl)amine
  • 1-Benzylpiperidine-4-amine

Work with 1-Benzyl-4-piperidylamine

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.

1-Benzylpiperidin-4-amine dihydrochloride1205-72-7Salt

Similar compounds

(3S)-(+)-1-Benzyl-3-aminopyrrolidine114715-38-779 % similar (3R)-1-Benzylpyrrolidin-3-amine114715-39-879 % similar 1-Benzyl-3-aminopyrrolidine18471-40-479 % similar 1-Phenethyl-piperidin-4-ylamine51448-56-772 % similar (S)-3-Amino-1-benzylpyrrolidine dihydrochloride131852-54-572 % similar 1-Benzylpiperidin-3-amine60407-35-464 % similar (1-Benzyl-4-piperidinyl)methylamine88915-26-863 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-562 % 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 (R)-3-Amino-1-benzylpiperidine168466-84-0 (3S)-1-(Phenylmethyl)-3-piperidinamine168466-85-1 (3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine169749-99-9

Elsewhere

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