2-methyl-1-(4-phenylpiperazin-1-yl)propan-2-amine

• ChemBase ID: 246160
• Molecular Formular: C14H23N3
• Molecular Mass: 233.35252
• Monoisotopic Mass: 233.18919775
• SMILES: N1(CCN(CC(N)(C)C)CC1)c1ccccc1
• Canonical SMILES: CC(CN1CCN(CC1)c1ccccc1)(N)C
• InChI: InChI=1S/C14H23N3/c1-14(2,15)12-16-8-10-17(11-9-16)13-6-4-3-5-7-13/h3-7H,8-12,15H2,1-2H3
• InChIKey: VHBCSGDLYUIWQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-(4-phenylpiperazin-1-yl)propan-2-amine
• IUPAC Traditional name: 2-methyl-1-(4-phenylpiperazin-1-yl)propan-2-amine
• Synonyms: 2-methyl-1-(4-phenylpiperazin-1-yl)propan-2-amine

Database IDs

• MDL Number: MFCD09759193
• PubChem SID: 164302070
• PubChem CID: 28279606

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1640017
• LogD (pH = 7.4): -0.5755958
• Log P: 1.8285772
• Molar Refractivity: 73.5435 cm^3
• Polarizability: 28.56428 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 84 - 86°C
• Hydrophobicity(logP): 2.369

Product Information

• Purity: 95%