1-{[4-(dimethylamino)phenyl]methyl}piperidin-4-amine dihydrochloride

• ChemBase ID: 55230
• Molecular Formular: C14H25Cl2N3
• Molecular Mass: 306.2744
• Monoisotopic Mass: 305.14255318
• SMILES: N1(Cc2ccc(N(C)C)cc2)CCC(CC1)N.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)Cc1ccc(cc1)N(C)C.Cl.Cl
• InChI: InChI=1S/C14H23N3.2ClH/c1-16(2)14-5-3-12(4-6-14)11-17-9-7-13(15)8-10-17;;/h3-6,13H,7-11,15H2,1-2H3;2*1H
• InChIKey: SLCZXCXXWSEHCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[4-(dimethylamino)phenyl]methyl}piperidin-4-amine dihydrochloride
• IUPAC Traditional name: 1-{[4-(dimethylamino)phenyl]methyl}piperidin-4-amine dihydrochloride
• Synonyms: 1-[4-(Dimethylamino)benzyl]piperidin-4-amine dihydrochloride

Database IDs

• MDL Number: MFCD18071166
• PubChem SID: 162059993
• PubChem CID: 56773504

CALCULATED PROPERTIES

• Polarizability: 28.559599 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.3028245
• LogD (pH = 7.4): -2.2127857
• Log P: 1.2338642
• Molar Refractivity: 74.4111 cm^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false