[1-(4-methylpiperazin-1-yl)cyclopentyl]methanamine

• ChemBase ID: 144074
• Molecular Formular: C11H23N3
• Molecular Mass: 197.32042
• Monoisotopic Mass: 197.18919775
• SMILES: CN1CCN(CC1)C1(CCCC1)CN
• Canonical SMILES: NCC1(CCCC1)N1CCN(CC1)C
• InChI: InChI=1S/C11H23N3/c1-13-6-8-14(9-7-13)11(10-12)4-2-3-5-11/h2-10,12H2,1H3
• InChIKey: KUTJXIZFVLYHEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-methylpiperazin-1-yl)cyclopentyl]methanamine
• IUPAC Traditional name: [1-(4-methylpiperazin-1-yl)cyclopentyl]methanamine
• Synonyms: 1-[1-(4-Methyl-1-piperazinyl)cyclopentyl]methanamine; 1-[1-(4-methyl-1-piperazinyl)cyclopentyl]methanamine

Database IDs

• CAS Number: 959240-31-4
• MDL Number: MFCD09864517
• PubChem SID: 162238291
• PubChem CID: 24691505

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.8504286
• LogD (pH = 7.4): -2.254712
• Log P: 0.5187758
• Molar Refractivity: 60.2908 cm^3
• Polarizability: 24.131968 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C11H23N3

DETAILS

Sigma Aldrich - CBR00153

Other Notes
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Legal Information
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