2-chloro-3-(piperidin-4-yloxy)pyridine hydrochloride

• ChemBase ID: 20986
• Molecular Formular: C10H14Cl2N2O
• Molecular Mass: 249.13696
• Monoisotopic Mass: 248.04831844
• SMILES: c1(c(OC2CCNCC2)cccn1)Cl.Cl
• Canonical SMILES: Clc1ncccc1OC1CCNCC1.Cl
• InChI: InChI=1S/C10H13ClN2O.ClH/c11-10-9(2-1-5-13-10)14-8-3-6-12-7-4-8;/h1-2,5,8,12H,3-4,6-7H2;1H
• InChIKey: CRUPYYKRWWTUMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-(piperidin-4-yloxy)pyridine hydrochloride
• IUPAC Traditional name: 2-chloro-3-(piperidin-4-yloxy)pyridine hydrochloride
• Synonyms: 2-Chloro-3-pyridinyl 4-piperidinyl ether hydrochloride

Database IDs

• MDL Number: MFCD11845780
• PubChem SID: 160984293
• PubChem CID: 46735697

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1415331
• LogD (pH = 7.4): -1.2971967
• Log P: 1.0658822
• Molar Refractivity: 56.3868 cm^3
• Polarizability: 22.070778 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false