1-(3-chlorophenyl)piperidin-3-amine dihydrochloride

• ChemBase ID: 274821
• Molecular Formular: C11H17Cl3N2
• Molecular Mass: 283.62508
• Monoisotopic Mass: 282.04573159
• SMILES: N1(c2cc(Cl)ccc2)CC(N)CCC1.Cl.Cl
• Canonical SMILES: NC1CCCN(C1)c1cccc(c1)Cl.Cl.Cl
• InChI: InChI=1S/C11H15ClN2.2ClH/c12-9-3-1-5-11(7-9)14-6-2-4-10(13)8-14;;/h1,3,5,7,10H,2,4,6,8,13H2;2*1H
• InChIKey: ZCARDIFNANADBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-chlorophenyl)piperidin-3-amine dihydrochloride
• IUPAC Traditional name: 1-(3-chlorophenyl)piperidin-3-amine dihydrochloride
• Synonyms: 1-(3-chlorophenyl)piperidin-3-amine dihydrochloride

Database IDs

• MDL Number: MFCD18917272
• PubChem SID: 164330731
• PubChem CID: 54593386

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.65953404
• LogD (pH = 7.4): -0.009908934
• Log P: 2.353915
• Molar Refractivity: 60.4524 cm^3
• Polarizability: 23.333845 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.608

Product Information

• Purity: 95%