1-(3-methoxypyridin-2-yl)piperidin-4-amine hydrochloride

• ChemBase ID: 297772
• Molecular Formular: C11H18ClN3O
• Molecular Mass: 243.73312
• Monoisotopic Mass: 243.11383989
• SMILES: COc1cccnc1N1CCC(CC1)N.Cl
• Canonical SMILES: COc1cccnc1N1CCC(CC1)N.Cl
• InChI: InChI=1S/C11H17N3O.ClH/c1-15-10-3-2-6-13-11(10)14-7-4-9(12)5-8-14;/h2-3,6,9H,4-5,7-8,12H2,1H3;1H
• InChIKey: QBVBNVDHWTXFAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methoxypyridin-2-yl)piperidin-4-amine hydrochloride
• IUPAC Traditional name: 1-(3-methoxypyridin-2-yl)piperidin-4-amine hydrochloride
• Synonyms: 1-(3-Methoxy-2-pyridyl)-4-piperidinamine hydrochloride; 2-(4-Amino-1-piperidinyl)-3-methoxypyridine; 4-Amino-1-(3-methoxy-2-pyridyl)piperidine hydrochloride; 4-氨基-1-(3-甲氧基-2-吡啶基)哌啶盐酸盐

Database IDs

• MDL Number: MFCD11869912
• PubChem SID: 180683303
• PubChem CID: 53400829

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.2101386
• LogD (pH = 7.4): -1.9984164
• Log P: 0.5115813
• Molar Refractivity: 60.4882 cm^3
• Polarizability: 23.092648 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A