1-(diphenylmethyl)piperazine hydrate

• ChemBase ID: 293181
• Molecular Formular: C17H22N2O
• Molecular Mass: 270.36938
• Monoisotopic Mass: 270.17321333
• SMILES: O.N1(C(c2ccccc2)c2ccccc2)CCNCC1
• Canonical SMILES: N1CCN(CC1)C(c1ccccc1)c1ccccc1.O
• InChI: InChI=1S/C17H20N2.H2O/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19;/h1-10,17-18H,11-14H2;1H2
• InChIKey: VHSDFUFIRZBPMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(diphenylmethyl)piperazine hydrate
• IUPAC Traditional name: diphenylmethylpiperazine hydrate
• Synonyms: 1-Benzhydrylpiperazine hydrate

Database IDs

• PubChem SID: 180678712
• PubChem CID: 71464359

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.11444532
• LogD (pH = 7.4): 1.2402861
• Log P: 3.1629543
• Molar Refractivity: 79.6389 cm^3
• Polarizability: 31.544624 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%