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

• ChemBase ID: 245883
• Molecular Formular: C11H23N3
• Molecular Mass: 197.32042
• Monoisotopic Mass: 197.18919775
• SMILES: N1(C2CCN(CC2)C)C(CNCC1)C
• Canonical SMILES: CN1CCC(CC1)N1CCNCC1C
• InChI: InChI=1S/C11H23N3/c1-10-9-12-5-8-14(10)11-3-6-13(2)7-4-11/h10-12H,3-9H2,1-2H3
• InChIKey: IERMEHUJHGXXEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-(1-methylpiperidin-4-yl)piperazine
• IUPAC Traditional name: 2-methyl-1-(1-methylpiperidin-4-yl)piperazine
• Synonyms: 2-methyl-1-(1-methylpiperidin-4-yl)piperazine

Database IDs

• MDL Number: MFCD19285682
• PubChem SID: 164301793
• PubChem CID: 64936523

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.0691013
• LogD (pH = 7.4): -3.4119945
• Log P: 0.09762226
• Molar Refractivity: 60.6134 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): -0.091

Product Information

• Purity: 95%