1-propylpiperazine hydrochloride

• ChemBase ID: 89539
• Molecular Formular: C7H17ClN2
• Molecular Mass: 164.67628
• Monoisotopic Mass: 164.10802623
• SMILES: N1(CCNCC1)CCC.Cl
• Canonical SMILES: CCCN1CCNCC1.Cl
• InChI: InChI=1S/C7H16N2.ClH/c1-2-5-9-6-3-8-4-7-9;/h8H,2-7H2,1H3;1H
• InChIKey: QFCLTBGHRZKNGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-propylpiperazine hydrochloride
• IUPAC Traditional name: 1-propylpiperazine hydrochloride
• Synonyms: 1-(Piperazin-1-yl)propane hydrochloride; 1-Propylpiperazine hydrochloride

Database IDs

• CAS Number: 71888-55-6
• MDL Number: MFCD11575790
• PubChem SID: 162076417
• PubChem CID: 3018287

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.03253
• LogD (pH = 7.4): -1.7622564
• Log P: 0.5335715
• Molar Refractivity: 40.0161 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant