3-(4-propylpiperazin-1-yl)propan-1-amine

• ChemBase ID: 34121
• Molecular Formular: C10H23N3
• Molecular Mass: 185.30972
• Monoisotopic Mass: 185.18919775
• SMILES: N1(CCN(CC1)CCC)CCCN
• Canonical SMILES: CCCN1CCN(CC1)CCCN
• InChI: InChI=1S/C10H23N3/c1-2-5-12-7-9-13(10-8-12)6-3-4-11/h2-11H2,1H3
• InChIKey: DJOXCABHIQUIJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-propylpiperazin-1-yl)propan-1-amine
• IUPAC Traditional name: 3-(4-propylpiperazin-1-yl)propan-1-amine
• Synonyms: 3-(4-Propylpiperazin-1-yl)propan-1-amine

Database IDs

• MDL Number: MFCD06740355
• PubChem SID: 160997428
• PubChem CID: 7175937

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.9288616
• LogD (pH = 7.4): -3.8108654
• Log P: 0.17959532
• Molar Refractivity: 58.126 cm^3
• Polarizability: 23.024387 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false