2-chloro-5-(piperidin-1-ylmethyl)pyridine

• ChemBase ID: 308823
• Molecular Formular: C11H15ClN2
• Molecular Mass: 210.7032
• Monoisotopic Mass: 210.09237617
• SMILES: n1c(Cl)ccc(CN2CCCCC2)c1
• Canonical SMILES: Clc1ccc(cn1)CN1CCCCC1
• InChI: InChI=1S/C11H15ClN2/c12-11-5-4-10(8-13-11)9-14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2
• InChIKey: UHTYDCOZEXBALQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(piperidin-1-ylmethyl)pyridine
• IUPAC Traditional name: 2-chloro-5-(piperidin-1-ylmethyl)pyridine
• Synonyms: 2-chloro-5-(1-piperidinylmethyl)pyridine

Database IDs

• CAS Number: 230617-67-1
• MDL Number: MFCD00684830

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.2855917
• LogD (pH = 7.4): 1.9596976
• Log P: 2.3715582
• Molar Refractivity: 60.4519 cm^3
• Polarizability: 23.197435 Å^3
• Polar Surface Area: 16.13 Å^2