1-cyclopentylpiperazine

• ChemBase ID: 11585
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: N1(C2CCCC2)CCNCC1
• Canonical SMILES: N1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C9H18N2/c1-2-4-9(3-1)11-7-5-10-6-8-11/h9-10H,1-8H2
• InChIKey: PVMCQBPJKPMOKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentylpiperazine
• IUPAC Traditional name: 1-cyclopentylpiperazine
• Synonyms: 1-Cyclopentyl-piperazine; 1-(Cyclopentyl)piperazine 98%; 1-Cyclopentylpiperazine

Database IDs

• CAS Number: 21043-40-3
• MDL Number: MFCD00168029
• PubChem SID: 160974892
• PubChem CID: 806421

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4154994
• LogD (pH = 7.4): -1.5423836
• Log P: 1.008943
• Molar Refractivity: 47.1567 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 48-50°C
• Partition Coefficient: 0.961
• Hydrophobicity(logP): 1.144

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 98%