1-[(2,4-dichlorophenyl)methyl]piperidin-4-amine hydrochloride

• ChemBase ID: 124792
• Molecular Formular: C12H17Cl3N2
• Molecular Mass: 295.63578
• Monoisotopic Mass: 294.04573159
• SMILES: c1(c(cc(cc1)Cl)Cl)CN1CCC(CC1)N.Cl
• Canonical SMILES: NC1CCN(CC1)Cc1ccc(cc1Cl)Cl.Cl
• InChI: InChI=1S/C12H16Cl2N2.ClH/c13-10-2-1-9(12(14)7-10)8-16-5-3-11(15)4-6-16;/h1-2,7,11H,3-6,8,15H2;1H
• InChIKey: LFPLOUNCAFKLML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2,4-dichlorophenyl)methyl]piperidin-4-amine hydrochloride
• IUPAC Traditional name: 1-[(2,4-dichlorophenyl)methyl]piperidin-4-amine hydrochloride
• Synonyms: 1-(2,4-dichlorobenzyl)piperidin-4-amine hydrochloride

Database IDs

• PubChem SID: 162219145
• PubChem CID: 52997043

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3491449
• LogD (pH = 7.4): -0.39012185
• Log P: 2.3339097
• Molar Refractivity: 69.5921 cm^3
• Polarizability: 27.432547 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl