1-(1-propylpiperidin-4-yl)piperazine

• ChemBase ID: 273667
• Molecular Formular: C12H25N3
• Molecular Mass: 211.347
• Monoisotopic Mass: 211.20484782
• SMILES: N1(C2CCN(CC2)CCC)CCNCC1
• Canonical SMILES: CCCN1CCC(CC1)N1CCNCC1
• InChI: InChI=1S/C12H25N3/c1-2-7-14-8-3-12(4-9-14)15-10-5-13-6-11-15/h12-13H,2-11H2,1H3
• InChIKey: NCQDPXYZMXSVPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-propylpiperidin-4-yl)piperazine
• IUPAC Traditional name: 1-(1-propylpiperidin-4-yl)piperazine
• Synonyms: 1-(1-propylpiperidin-4-yl)piperazine

Database IDs

• MDL Number: MFCD11586644
• PubChem SID: 164329577
• PubChem CID: 28282969

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.945009
• LogD (pH = 7.4): -3.4693139
• 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): 0.788

Product Information

• Purity: 95%