methyl[1-(1-methylpiperidin-4-yl)ethyl]amine

• ChemBase ID: 263934
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(CCC(CC1)C(NC)C)C
• Canonical SMILES: CNC(C1CCN(CC1)C)C
• InChI: InChI=1S/C9H20N2/c1-8(10-2)9-4-6-11(3)7-5-9/h8-10H,4-7H2,1-3H3
• InChIKey: ZXXKBZCVDHPLTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11637866
• PubChem SID: 164319844
• PubChem CID: 22064966

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.849668
• LogD (pH = 7.4): -4.1716366
• Log P: 0.71110344
• Molar Refractivity: 49.3813 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.298

Product Information

• Purity: 95%