1-(piperidin-4-ylmethyl)piperidin-2-one dihydrochloride

• ChemBase ID: 276191
• Molecular Formular: C11H22Cl2N2O
• Molecular Mass: 269.21118
• Monoisotopic Mass: 268.11091869
• SMILES: N1(C(=O)CCCC1)CC1CCNCC1.Cl.Cl
• Canonical SMILES: O=C1CCCCN1CC1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H20N2O.2ClH/c14-11-3-1-2-8-13(11)9-10-4-6-12-7-5-10;;/h10,12H,1-9H2;2*1H
• InChIKey: CCAOZSMVOXZOQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-4-ylmethyl)piperidin-2-one dihydrochloride
• IUPAC Traditional name: 1-(piperidin-4-ylmethyl)piperidin-2-one dihydrochloride
• Synonyms: 1-(piperidin-4-ylmethyl)piperidin-2-one dihydrochloride

Database IDs

• MDL Number: MFCD19382070
• PubChem SID: 164332101
• PubChem CID: 54594051

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0282729
• LogD (pH = 7.4): -2.360611
• Log P: 0.19299437
• Molar Refractivity: 56.73 cm^3
• Polarizability: 22.265976 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 181 - 183°C
• Hydrophobicity(logP): 0.393

Product Information

• Purity: 95%