5-chloro-2-(piperidin-3-yloxy)pyridine

• ChemBase ID: 241592
• Molecular Formular: C10H13ClN2O
• Molecular Mass: 212.67602
• Monoisotopic Mass: 212.07164073
• SMILES: n1c(OC2CNCCC2)ccc(c1)Cl
• Canonical SMILES: Clc1ccc(nc1)OC1CCCNC1
• InChI: InChI=1S/C10H13ClN2O/c11-8-3-4-10(13-6-8)14-9-2-1-5-12-7-9/h3-4,6,9,12H,1-2,5,7H2
• InChIKey: WLCBORVYRFBJOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-(piperidin-3-yloxy)pyridine
• IUPAC Traditional name: 5-chloro-2-(piperidin-3-yloxy)pyridine
• Synonyms: 5-chloro-2-(piperidin-3-yloxy)pyridine

Database IDs

• MDL Number: MFCD16714384
• PubChem SID: 164297502
• PubChem CID: 62348173

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.255014
• LogD (pH = 7.4): -0.066145055
• Log P: 1.8975655
• Molar Refractivity: 55.4182 cm^3
• Polarizability: 22.001259 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64 - 66°C
• Hydrophobicity(logP): 2.378

Product Information

• Purity: 95%