N-methyl-1-(1-methylpiperidin-4-yl)piperidin-4-amine

• ChemBase ID: 266864
• Molecular Formular: C12H25N3
• Molecular Mass: 211.347
• Monoisotopic Mass: 211.20484782
• SMILES: N1(C2CCN(CC2)C)CCC(CC1)NC
• Canonical SMILES: CNC1CCN(CC1)C1CCN(CC1)C
• InChI: InChI=1S/C12H25N3/c1-13-11-3-9-15(10-4-11)12-5-7-14(2)8-6-12/h11-13H,3-10H2,1-2H3
• InChIKey: VWGYBRUABNUUGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-(1-methylpiperidin-4-yl)piperidin-4-amine
• IUPAC Traditional name: N-methyl-1-(1-methylpiperidin-4-yl)piperidin-4-amine
• Synonyms: N-methyl-1-(1-methylpiperidin-4-yl)piperidin-4-amine

Database IDs

• MDL Number: MFCD12167336
• PubChem SID: 164322774
• PubChem CID: 43373543

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -7.6381307
• LogD (pH = 7.4): -4.8301063
• Log P: -0.13926622
• Molar Refractivity: 65.5956 cm^3
• Polarizability: 25.977915 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.832

Product Information

• Purity: 95%