methyl[2-(1-methylpiperidin-3-yl)ethyl]amine

• ChemBase ID: 50456
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(CC(CCC1)CCNC)C
• Canonical SMILES: CNCCC1CCCN(C1)C
• InChI: InChI=1S/C9H20N2/c1-10-6-5-9-4-3-7-11(2)8-9/h9-10H,3-8H2,1-2H3
• InChIKey: OTGQOYFNOJVJLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(1-methylpiperidin-3-yl)ethyl]amine
• IUPAC Traditional name: methyl[2-(1-methylpiperidin-3-yl)ethyl]amine
• Synonyms: N-Methyl-2-(1-methyl-3-piperidinyl)-1-ethanamine

Database IDs

• MDL Number: MFCD11847950
• PubChem SID: 162055219
• PubChem CID: 53410880

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.9119945
• LogD (pH = 7.4): -4.38316
• Log P: 0.73909706
• Molar Refractivity: 49.5635 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false