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

C₁₂H₂₀Cl₂N₂CAS 307532-02-1263.21 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₂H₂₀Cl₂N₂
Molar mass: 263.21 g/mol
Exact mass: 262.1004 Da
logP: 2.45Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

307532-02-1

SMILES

Cl.Cl.N[C@H]1CCCN(Cc2ccccc2)C1

InChIKey

ZMXHMHRIRGUODO-LTCKWSDVSA-N

InChI

InChI=1S/C12H18N2.2ClH/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;2*1H/t12-;;/m0../s1

Weigh it out

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

Names and synonyms

3 names

3-Piperidinamine, 1-(phenylmethyl)-, hydrochloride (1:2), (3S)-
3-Piperidinamine, 1-(phenylmethyl)-, dihydrochloride, (3S)-
(S)-(+)-1-Benzyl-3-aminopiperidine dihydrochloride

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

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-piperidinamine168466-85-191 % similar (3S)-(+)-1-Benzyl-3-aminopyrrolidine114715-38-774 % similar (3R)-1-Benzylpyrrolidin-3-amine114715-39-874 % similar 1-Benzyl-3-piperidinol hydrochloride105973-51-164 % similar 4-Amino-1-benzylpiperidine50541-93-058 % similar 1-Benzyl-3-hydroxypiperidine14813-01-556 % similar (3R)-1-(Phenylmethyl)-3-piperidinol91599-81-456 % similar 2,5-Hexanediamine, 1,6-diphenyl-, hydrochloride (1:2), (2R,5R)-1247119-31-849 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Amino-1-benzylpiperidine dihydrochloride1205-72-7

Elsewhere

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