1-(3-cyclopentylpropyl)piperazine

• ChemBase ID: 74323
• Molecular Formular: C12H24N2
• Molecular Mass: 196.33236
• Monoisotopic Mass: 196.19394878
• SMILES: N1CCN(CCCC2CCCC2)CC1
• Canonical SMILES: N1CCN(CC1)CCCC1CCCC1
• InChI: InChI=1S/C12H24N2/c1-2-5-12(4-1)6-3-9-14-10-7-13-8-11-14/h12-13H,1-11H2
• InChIKey: IGNHQGIPGGJAAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-cyclopentylpropyl)piperazine
• IUPAC Traditional name: 1-(3-cyclopentylpropyl)piperazine
• Synonyms: [3-(Piperazin-1-yl)prop-1-yl]cyclopentane; 1-Cyclopentyl-3-(piperazin-1-yl)propane; 1-(3-Cyclopentylprop-1-yl)piperazine 97%

Database IDs

• CAS Number: 827614-49-3
• MDL Number: MFCD04972589
• PubChem SID: 162039242
• PubChem CID: 2758007

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2679821
• LogD (pH = 7.4): 0.08318762
• Log P: 2.1351392
• Molar Refractivity: 61.1665 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant