ethyl[2-(4-methylpiperidin-1-yl)ethyl]amine

• ChemBase ID: 25101
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1(CCC(CC1)C)CCNCC
• Canonical SMILES: CCNCCN1CCC(CC1)C
• InChI: InChI=1S/C10H22N2/c1-3-11-6-9-12-7-4-10(2)5-8-12/h10-11H,3-9H2,1-2H3
• InChIKey: BEXZRZRCZHVZFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[2-(4-methylpiperidin-1-yl)ethyl]amine
• IUPAC Traditional name: ethyl[2-(4-methylpiperidin-1-yl)ethyl]amine
• Synonyms: N-ethyl-2-(4-methylpiperidin-1-yl)ethanamine; N-Ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]amine

Database IDs

• CAS Number: 915923-35-2
• MDL Number: MFCD08691569
• PubChem SID: 160988408
• PubChem CID: 45791084

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.409233
• LogD (pH = 7.4): -1.3911006
• Log P: 1.3199593
• Molar Refractivity: 54.1517 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false