[3-(piperazin-1-yl)propyl]dipropylamine

• ChemBase ID: 91294
• Molecular Formular: C13H29N3
• Molecular Mass: 227.38946
• Monoisotopic Mass: 227.23614794
• SMILES: N1(CCNCC1)CCCN(CCC)CCC
• Canonical SMILES: CCCN(CCC)CCCN1CCNCC1
• InChI: InChI=1S/C13H29N3/c1-3-8-15(9-4-2)10-5-11-16-12-6-14-7-13-16/h14H,3-13H2,1-2H3
• InChIKey: INURTONYJXVENS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(piperazin-1-yl)propyl]dipropylamine
• IUPAC Traditional name: [3-(piperazin-1-yl)propyl]dipropylamine
• Synonyms: 1-(3-Dipropylaminopropyl)piperazine 97%

Database IDs

• MDL Number: MFCD01075183
• PubChem SID: 162077998
• PubChem CID: 2736107

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.119207
• LogD (pH = 7.4): -3.4169858
• Log P: 1.4915061
• Molar Refractivity: 72.1732 cm^3
• Polarizability: 28.563572 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 95-97°C

Safety Information

• Storage Warning: Irritant