2-(piperidin-1-yl)pyridine-3-carbaldehyde hydrochloride

• ChemBase ID: 121142
• Molecular Formular: C11H15ClN2O
• Molecular Mass: 226.7026
• Monoisotopic Mass: 226.08729079
• SMILES: c1(N2CCCCC2)c(C=O)cccn1.Cl
• Canonical SMILES: O=Cc1cccnc1N1CCCCC1.Cl
• InChI: InChI=1S/C11H14N2O.ClH/c14-9-10-5-4-6-12-11(10)13-7-2-1-3-8-13;/h4-6,9H,1-3,7-8H2;1H
• InChIKey: RVOSEPWVRLVFNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)pyridine-3-carbaldehyde hydrochloride
• IUPAC Traditional name: 2-(piperidin-1-yl)pyridine-3-carbaldehyde hydrochloride
• Synonyms: 2-(piperidin-1-yl)nicotinaldehyde hydrochloride

Database IDs

• PubChem SID: 162215495
• PubChem CID: 71308061

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7916691
• LogD (pH = 7.4): 2.0170693
• Log P: 2.0209432
• Molar Refractivity: 57.3692 cm^3
• Polarizability: 20.942236 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl