1-(piperidin-4-yl)-4-propylpiperazine

• ChemBase ID: 272938
• Molecular Formular: C12H25N3
• Molecular Mass: 211.347
• Monoisotopic Mass: 211.20484782
• SMILES: N1(C2CCNCC2)CCN(CC1)CCC
• Canonical SMILES: CCCN1CCN(CC1)C1CCNCC1
• InChI: InChI=1S/C12H25N3/c1-2-7-14-8-10-15(11-9-14)12-3-5-13-6-4-12/h12-13H,2-11H2,1H3
• InChIKey: IGQFJFFJSHSLDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-4-yl)-4-propylpiperazine
• IUPAC Traditional name: 1-(piperidin-4-yl)-4-propylpiperazine
• Synonyms: 1-(piperidin-4-yl)-4-propylpiperazine

Database IDs

• MDL Number: MFCD09940719
• PubChem SID: 164328848
• PubChem CID: 24701624

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.6277146
• LogD (pH = 7.4): -3.3657525
• Log P: 0.5603776
• Molar Refractivity: 65.4672 cm^3
• Polarizability: 25.977915 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.182

Product Information

• Purity: 95%