{3-[4-(diphenylmethyl)piperazin-1-yl]propyl}(methyl)amine

• ChemBase ID: 24486
• Molecular Formular: C21H29N3
• Molecular Mass: 323.47506
• Monoisotopic Mass: 323.23614794
• SMILES: N1(C(c2ccccc2)c2ccccc2)CCN(CC1)CCCNC
• Canonical SMILES: CNCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C21H29N3/c1-22-13-8-14-23-15-17-24(18-16-23)21(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,21-22H,8,13-18H2,1H3
• InChIKey: NUNBULLXHNJBTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[4-(diphenylmethyl)piperazin-1-yl]propyl}(methyl)amine
• IUPAC Traditional name: {3-[4-(diphenylmethyl)piperazin-1-yl]propyl}(methyl)amine
• Synonyms: 3-(4-Benzhydryl-1-piperazinyl)-N-methyl-1-propanamine

Database IDs

• MDL Number: MFCD10687370
• PubChem SID: 160987793
• PubChem CID: 28307194

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6918483
• LogD (pH = 7.4): -0.5328185
• Log P: 3.2415588
• Molar Refractivity: 102.5234 cm^3
• Polarizability: 40.44738 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false