2-chloro-5-(1-propylpiperidin-2-yl)pyridine

• ChemBase ID: 274467
• Molecular Formular: C13H19ClN2
• Molecular Mass: 238.75636
• Monoisotopic Mass: 238.1236763
• SMILES: N1(C(c2cnc(cc2)Cl)CCCC1)CCC
• Canonical SMILES: CCCN1CCCCC1c1ccc(nc1)Cl
• InChI: InChI=1S/C13H19ClN2/c1-2-8-16-9-4-3-5-12(16)11-6-7-13(14)15-10-11/h6-7,10,12H,2-5,8-9H2,1H3
• InChIKey: OKINFUVQNJJUGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(1-propylpiperidin-2-yl)pyridine
• IUPAC Traditional name: 2-chloro-5-(1-propylpiperidin-2-yl)pyridine
• Synonyms: 2-chloro-5-(1-propylpiperidin-2-yl)pyridine

Database IDs

• MDL Number: MFCD18838825
• PubChem SID: 164330377
• PubChem CID: 54593181

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7000841
• LogD (pH = 7.4): 2.4739556
• Log P: 3.3106556
• Molar Refractivity: 69.3947 cm^3
• Polarizability: 26.882046 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.297

Product Information

• Purity: 95%