4-(4-cyclopentylpiperazin-1-yl)aniline

• ChemBase ID: 77005
• Molecular Formular: C15H23N3
• Molecular Mass: 245.36322
• Monoisotopic Mass: 245.18919775
• SMILES: N1(c2ccc(cc2)N)CCN(C2CCCC2)CC1
• Canonical SMILES: Nc1ccc(cc1)N1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C15H23N3/c16-13-5-7-15(8-6-13)18-11-9-17(10-12-18)14-3-1-2-4-14/h5-8,14H,1-4,9-12,16H2
• InChIKey: YMVUWEKIXPWCKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-cyclopentylpiperazin-1-yl)aniline
• IUPAC Traditional name: 4-(4-cyclopentylpiperazin-1-yl)aniline
• Synonyms: 4-(4-Cyclopentylpiperazin-1-yl)aniline

Database IDs

• MDL Number: MFCD08165767
• PubChem SID: 162041904
• PubChem CID: 9161554

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0665365
• LogD (pH = 7.4): 0.8202282
• Log P: 2.4541852
• Molar Refractivity: 77.6503 cm^3
• Polarizability: 29.27076 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant