2-(piperidin-3-yl)-1-propylpiperidine

• ChemBase ID: 274458
• Molecular Formular: C13H26N2
• Molecular Mass: 210.35894
• Monoisotopic Mass: 210.20959884
• SMILES: N1(C(C2CNCCC2)CCCC1)CCC
• Canonical SMILES: CCCN1CCCCC1C1CCCNC1
• InChI: InChI=1S/C13H26N2/c1-2-9-15-10-4-3-7-13(15)12-6-5-8-14-11-12/h12-14H,2-11H2,1H3
• InChIKey: VQBZYKSDBIFFKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-3-yl)-1-propylpiperidine
• IUPAC Traditional name: 2-(piperidin-3-yl)-1-propylpiperidine
• Synonyms: 2-(piperidin-3-yl)-1-propylpiperidine

Database IDs

• MDL Number: MFCD18838819
• PubChem SID: 164330368
• PubChem CID: 54593175

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.1782107
• LogD (pH = 7.4): -2.3176692
• Log P: 2.1255486
• Molar Refractivity: 65.9485 cm^3
• Polarizability: 26.303617 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.57

Product Information

• Purity: 95%