diethyl(piperidin-4-ylmethyl)amine

• ChemBase ID: 259068
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1CCC(CN(CC)CC)CC1
• Canonical SMILES: CCN(CC1CCNCC1)CC
• InChI: InChI=1S/C10H22N2/c1-3-12(4-2)9-10-5-7-11-8-6-10/h10-11H,3-9H2,1-2H3
• InChIKey: NBCRICNNRIGTEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl(piperidin-4-ylmethyl)amine
• IUPAC Traditional name: diethyl(piperidin-4-ylmethyl)amine
• Synonyms: diethyl(piperidin-4-ylmethyl)amine

Database IDs

• CAS Number: 116905-90-9
• MDL Number: MFCD05215182
• PubChem SID: 164314978
• PubChem CID: 3704532

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.7115097
• LogD (pH = 7.4): -4.7338367
• Log P: 1.0081443
• Molar Refractivity: 54.4597 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.307

Product Information

• Purity: 95%