1-methyl-4-(piperidin-4-yl)piperazin-2-one dihydrochloride

• ChemBase ID: 247495
• Molecular Formular: C10H21Cl2N3O
• Molecular Mass: 270.19924
• Monoisotopic Mass: 269.10616767
• SMILES: C1(=O)N(CCN(C1)C1CCNCC1)C.Cl.Cl
• Canonical SMILES: O=C1CN(CCN1C)C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C10H19N3O.2ClH/c1-12-6-7-13(8-10(12)14)9-2-4-11-5-3-9;;/h9,11H,2-8H2,1H3;2*1H
• InChIKey: YPANAEDDNTYOJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-(piperidin-4-yl)piperazin-2-one dihydrochloride
• IUPAC Traditional name: 1-methyl-4-(piperidin-4-yl)piperazin-2-one dihydrochloride
• Synonyms: 1-methyl-4-(piperidin-4-yl)piperazin-2-one dihydrochloride

Database IDs

• PubChem SID: 164303405
• PubChem CID: 71758238

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.94501
• LogD (pH = 7.4): -3.9204488
• Log P: -1.2192044
• Molar Refractivity: 55.8757 cm^3
• Polarizability: 21.952879 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.0010

Product Information

• Purity: 95%