3-Piperidinamine, N,4-dimethyl-1-(phenylmethyl)-, hydrochloride (1:2), (3R,4R)-

C₁₄H₂₄Cl₂N₂CAS 1062580-52-2291.26 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

Identifiers

CAS number

1062580-52-2

SMILES

CN[C@H]1CN(Cc2ccccc2)CC[C@H]1C.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.

Work with 3-Piperidinamine, N,4-dimethyl-1-(phenylmethyl)-, hydrochloride (1:2), (3R,4R)-

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

N-Methyl-1-(phenylmethyl)-4-piperidinamine7006-50-056 % similar (S)-3-Amino-1-benzylpyrrolidine dihydrochloride131852-54-552 % similar 4-Amino-1-benzylpiperidine 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 (R)-(+)-1-Benzyl-3-pyrrolidinol101930-07-845 % similar

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

Same formula

3-Piperidinamine, N,4-dimethyl-1-(phenylmethyl)-, hydrochloride (1:2)1228879-37-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook