N-benzyl-N-ethylpiperidin-4-amine

• ChemBase ID: 19046
• Molecular Formular: C14H22N2
• Molecular Mass: 218.33788
• Monoisotopic Mass: 218.17829871
• SMILES: N(Cc1ccccc1)(C1CCNCC1)CC
• Canonical SMILES: CCN(C1CCNCC1)Cc1ccccc1
• InChI: InChI=1S/C14H22N2/c1-2-16(14-8-10-15-11-9-14)12-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3
• InChIKey: AYOMQFAVBBILEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-ethylpiperidin-4-amine
• IUPAC Traditional name: N-benzyl-N-ethylpiperidin-4-amine
• Synonyms: N-benzyl-N-ethylpiperidin-4-amine; Benzyl-ethyl-piperidin-4-yl-amine

Database IDs

• CAS Number: 76167-64-1
• MDL Number: MFCD03274735
• PubChem SID: 160982353
• PubChem CID: 795726

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.903181
• LogD (pH = 7.4): -1.7146987
• Log P: 1.9152087
• Molar Refractivity: 69.5057 cm^3
• Polarizability: 27.447319 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