methyl({2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl})amine

• ChemBase ID: 286143
• Molecular Formular: C14H29N3
• Molecular Mass: 239.40016
• Monoisotopic Mass: 239.23614794
• SMILES: N1(C2CCN(CC2)C)CCC(CC1)CCNC
• Canonical SMILES: CNCCC1CCN(CC1)C1CCN(CC1)C
• InChI: InChI=1S/C14H29N3/c1-15-8-3-13-4-11-17(12-5-13)14-6-9-16(2)10-7-14/h13-15H,3-12H2,1-2H3
• InChIKey: HSIUAGQVRUHXFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl})amine
• IUPAC Traditional name: methyl({2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl})amine
• Synonyms: methyl({2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl})amine

Database IDs

• MDL Number: MFCD19410625
• PubChem SID: 180671674
• PubChem CID: 64024841

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -7.669093
• LogD (pH = 7.4): -5.2453218
• Log P: 0.6879495
• Molar Refractivity: 75.0916 cm^3
• Polarizability: 29.6702 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 48 - 50°C
• Hydrophobicity(logP): 0.316

Product Information

• Purity: 95%