1-cycloheptylpiperazine hydrochloride

• ChemBase ID: 11601
• Molecular Formular: C11H23ClN2
• Molecular Mass: 218.76672
• Monoisotopic Mass: 218.15497643
• SMILES: C1CCCC(CC1)N1CCNCC1.Cl
• Canonical SMILES: C1CCCC(CC1)N1CCNCC1.Cl
• InChI: InChI=1S/C11H22N2.ClH/c1-2-4-6-11(5-3-1)13-9-7-12-8-10-13;/h11-12H,1-10H2;1H
• InChIKey: AGICGXYJQOVNRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cycloheptylpiperazine hydrochloride
• IUPAC Traditional name: 1-cycloheptylpiperazine hydrochloride
• Synonyms: 1-Cycloheptyl-piperazine hydrochloride

Database IDs

• CAS Number: 436099-91-1
• MDL Number: MFCD06800450
• PubChem SID: 160974908
• PubChem CID: 9549512

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5620614
• LogD (pH = 7.4): -0.83674264
• Log P: 1.8980803
• Molar Refractivity: 56.3587 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false