1-methyl-4-(3-methylpiperidin-4-yl)piperazine

• ChemBase ID: 245146
• Molecular Formular: C11H23N3
• Molecular Mass: 197.32042
• Monoisotopic Mass: 197.18919775
• SMILES: N1(C2C(CNCC2)C)CCN(CC1)C
• Canonical SMILES: CN1CCN(CC1)C1CCNCC1C
• InChI: InChI=1S/C11H23N3/c1-10-9-12-4-3-11(10)14-7-5-13(2)6-8-14/h10-12H,3-9H2,1-2H3
• InChIKey: KVKJXZHVOYPJIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-(3-methylpiperidin-4-yl)piperazine
• IUPAC Traditional name: 1-methyl-4-(3-methylpiperidin-4-yl)piperazine
• Synonyms: 1-methyl-4-(3-methylpiperidin-4-yl)piperazine

Database IDs

• MDL Number: MFCD19674846
• PubChem SID: 164301056
• PubChem CID: 64198968

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.5750275
• LogD (pH = 7.4): -3.3705113
• Log P: 0.1603708
• Molar Refractivity: 60.611 cm^3
• Polarizability: 24.131968 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.721

Product Information

• Purity: 95%