1-(pyridin-3-ylmethyl)piperidin-4-amine trihydrochloride

• ChemBase ID: 24050
• Molecular Formular: C11H20Cl3N3
• Molecular Mass: 300.6556
• Monoisotopic Mass: 299.0722807
• SMILES: N1(Cc2cccnc2)CCC(CC1)N.Cl.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)Cc1cccnc1.Cl.Cl.Cl
• InChI: InChI=1S/C11H17N3.3ClH/c12-11-3-6-14(7-4-11)9-10-2-1-5-13-8-10;;;/h1-2,5,8,11H,3-4,6-7,9,12H2;3*1H
• InChIKey: IFMYFXJJIIGOIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-3-ylmethyl)piperidin-4-amine trihydrochloride
• IUPAC Traditional name: 1-(pyridin-3-ylmethyl)piperidin-4-amine trihydrochloride
• Synonyms: 1-(pyridin-3-ylmethyl)piperidin-4-amine trihydrochloride; 1-Pyridin-3-ylmethyl-piperidin-4-ylamine trihydrochloride

Database IDs

• MDL Number: MFCD08689422
• PubChem SID: 160987357
• PubChem CID: 46735955

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.0002866
• LogD (pH = 7.4): -3.0950918
• Log P: -0.09185205
• Molar Refractivity: 57.8256 cm^3
• Polarizability: 22.817152 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.315

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%