1-ethyl-N-methylpiperidin-4-amine

• ChemBase ID: 60423
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1(CCC(CC1)NC)CC
• Canonical SMILES: CNC1CCN(CC1)CC
• InChI: InChI=1S/C8H18N2/c1-3-10-6-4-8(9-2)5-7-10/h8-9H,3-7H2,1-2H3
• InChIKey: FYPFTVGAZOKJRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-methylpiperidin-4-amine
• IUPAC Traditional name: 1-ethyl-N-methylpiperidin-4-amine
• Synonyms: 1-Ethyl-N-methylpiperidin-4-amine; 1-ethyl-N-methyl-4-piperidinamine

Database IDs

• CAS Number: 864247-56-3
• MDL Number: MFCD09042756
• PubChem SID: 162026164
• PubChem CID: 16770471

CALCULATED PROPERTIES

• LogD (pH = 7.4): -3.3363357
• Log P: 0.19073561
• Molar Refractivity: 44.8931 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.383707

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.069

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%