1-(cyclopentylmethyl)piperazine

• ChemBase ID: 51082
• Molecular Formular: C10H20N2
• Molecular Mass: 168.2792
• Monoisotopic Mass: 168.16264865
• SMILES: N1(CC2CCCC2)CCNCC1
• Canonical SMILES: N1CCN(CC1)CC1CCCC1
• InChI: InChI=1S/C10H20N2/c1-2-4-10(3-1)9-12-7-5-11-6-8-12/h10-11H,1-9H2
• InChIKey: HDSJFNAPZZCQAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopentylmethyl)piperazine
• IUPAC Traditional name: 1-(cyclopentylmethyl)piperazine
• Synonyms: 1-(Cyclopentylmethyl)piperazine

Database IDs

• CAS Number: 82500-22-9
• MDL Number: MFCD08677888
• PubChem SID: 162055845
• PubChem CID: 935661

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0954316
• LogD (pH = 7.4): -1.1956916
• Log P: 1.3239557
• Molar Refractivity: 51.8875 cm^3
• Polarizability: 20.7646 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%