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

• ChemBase ID: 24487
• Molecular Formular: C22H31N3
• Molecular Mass: 337.50164
• Monoisotopic Mass: 337.25179801
• SMILES: N1(C(c2ccccc2)c2ccccc2)CCN(CC1)CCCNCC
• Canonical SMILES: CCNCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H31N3/c1-2-23-14-9-15-24-16-18-25(19-17-24)22(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,22-23H,2,9,14-19H2,1H3
• InChIKey: SRNZQLYMXRAICA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD10687371
• PubChem SID: 160987794
• PubChem CID: 28307196

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3356566
• LogD (pH = 7.4): -0.22081502
• Log P: 3.5983667
• Molar Refractivity: 107.272 cm^3
• Polarizability: 42.29441 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false