N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]pyridin-2-amine

• ChemBase ID: 84737
• Molecular Formular: C19H26N4
• Molecular Mass: 310.43654
• Monoisotopic Mass: 310.21574685
• SMILES: N1(Cc2ccccc2)CCN(CC1)CC(Nc1ncccc1)C
• Canonical SMILES: CC(Nc1ccccn1)CN1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C19H26N4/c1-17(21-19-9-5-6-10-20-19)15-22-11-13-23(14-12-22)16-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,20,21)
• InChIKey: WENQHCCGSKCGGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]pyridin-2-amine
• IUPAC Traditional name: N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]pyridin-2-amine
• Synonyms: N-[2-(4-benzylpiperazino)-1-methylethyl]pyridin-2-amine

Database IDs

• MDL Number: MFCD01314143
• PubChem SID: 162071853
• PubChem CID: 2794888

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.287954
• LogD (pH = 7.4): 1.8645257
• Log P: 2.8296213
• Molar Refractivity: 97.509 cm^3
• Polarizability: 37.262527 Å^3
• Polar Surface Area: 31.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true