2-(4-methylpiperazin-1-yl)cyclopentan-1-ol

• ChemBase ID: 282974
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: N1(C2C(O)CCC2)CCN(CC1)C
• Canonical SMILES: CN1CCN(CC1)C1CCCC1O
• InChI: InChI=1S/C10H20N2O/c1-11-5-7-12(8-6-11)9-3-2-4-10(9)13/h9-10,13H,2-8H2,1H3
• InChIKey: QKAMIGVRCHNECO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methylpiperazin-1-yl)cyclopentan-1-ol
• IUPAC Traditional name: 2-(4-methylpiperazin-1-yl)cyclopentan-1-ol
• Synonyms: 2-(4-methylpiperazin-1-yl)cyclopentan-1-ol; 2-(4-methylpiperazin-1-yl)cyclopentanol

Database IDs

• CAS Number: 915921-53-8
• MDL Number: MFCD08059824
• PubChem SID: 180668505
• PubChem CID: 44827676

CALCULATED PROPERTIES

• Acid pKa: 14.596466
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.8837998
• LogD (pH = 7.4): -1.2890724
• Log P: 0.3170873
• Molar Refractivity: 53.8129 cm^3
• Polarizability: 21.362965 Å^3
• Polar Surface Area: 26.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.545

Product Information

• Purity: 95%