1-cyclobutylpiperazine

• ChemBase ID: 274329
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: N1(C2CCC2)CCNCC1
• Canonical SMILES: N1CCN(CC1)C1CCC1
• InChI: InChI=1S/C8H16N2/c1-2-8(3-1)10-6-4-9-5-7-10/h8-9H,1-7H2
• InChIKey: WJJKCJYVIICABH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclobutylpiperazine
• IUPAC Traditional name: 1-cyclobutylpiperazine
• Synonyms: 1-cyclobutylpiperazine

Database IDs

• CAS Number: 61379-68-8
• MDL Number: MFCD06254806
• PubChem SID: 164330239
• PubChem CID: 4738602

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9884672
• LogD (pH = 7.4): -1.7062966
• Log P: 0.5643743
• Molar Refractivity: 42.5557 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.585

Product Information

• Purity: 95%; 97%