(3S,4S)-1-Benzyl-N,4-dimethylpiperidin-3-amine hydrochloride

C₁₄H₂₄Cl₂N₂CAS 477600-68-3291.26 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₄H₂₄Cl₂N₂
Molar mass: 291.26 g/mol
Exact mass: 290.1317 Da
logP: 2.96Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3
Stereocentres: R, Rin SMILES atom order

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

477600-68-3

SMILES

C[C@@H]1CCN(C[C@@H]1NC)CC2=CC=CC=C2.Cl.Cl

InChIKey

CVQNXCBXFOIHLH-DAIKJZOUSA-N

InChI

InChI=1S/C14H22N2.2ClH/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13;;/h3-7,12,14-15H,8-11H2,1-2H3;2*1H/t12-,14+;;/m1../s1

Weigh it out

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

Names and synonyms

1 names

1-Benzyl-N,4-dimethyl-piperidin-3-amine dihydrochloride, (3R,4R)-

Work with (3S,4S)-1-Benzyl-N,4-dimethylpiperidin-3-amine hydrochloride

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.

(3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine477600-70-7Free base 3-Piperidinamine, N,4-dimethyl-1-(phenylmethyl)-, hydrochloride (1:2)1228879-37-5Stereo not defined 1-Benzyl-N,4-dimethyl-piperidin-3-amine dihydrochloride, (3R,4R)-1062580-52-2

Similar compounds

(3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine169749-99-961 % similar N-Methyl-1-(phenylmethyl)-4-piperidinamine7006-50-056 % similar (S)-3-Amino-1-benzylpyrrolidine dihydrochloride131852-54-552 % similar 1-Benzylpiperidin-4-amine dihydrochloride1205-72-748 % similar 1-Benzyl-3-piperidinol hydrochloride105973-51-147 % similar (3S)-1-(Phenylmethyl)-3-piperidinamine dihydrochloride307532-02-147 % similar 3-Methyl-1-(phenylmethyl)piperazine3138-90-746 % similar (3S)-1-(Phenylmethyl)-3-pyrrolidinol101385-90-445 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook