1-(1-methylpiperidin-3-yl)piperazin-2-one dihydrochloride

• ChemBase ID: 247478
• Molecular Formular: C10H21Cl2N3O
• Molecular Mass: 270.19924
• Monoisotopic Mass: 269.10616767
• SMILES: N1(C(=O)CNCC1)C1CN(CCC1)C.Cl.Cl
• Canonical SMILES: CN1CCCC(C1)N1CCNCC1=O.Cl.Cl
• InChI: InChI=1S/C10H19N3O.2ClH/c1-12-5-2-3-9(8-12)13-6-4-11-7-10(13)14;;/h9,11H,2-8H2,1H3;2*1H
• InChIKey: JHCFXEUUQHTJDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-methylpiperidin-3-yl)piperazin-2-one dihydrochloride
• IUPAC Traditional name: 1-(1-methylpiperidin-3-yl)piperazin-2-one dihydrochloride
• Synonyms: 1-(1-methylpiperidin-3-yl)piperazin-2-one dihydrochloride

Database IDs

• PubChem SID: 164303388
• PubChem CID: 71758230

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.736276
• LogD (pH = 7.4): -1.7846189
• Log P: -0.76180154
• Molar Refractivity: 55.6549 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): 0.646

Product Information

• Purity: 95%