diethyl(piperidin-3-ylmethyl)amine

• ChemBase ID: 17184
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: C1(CN(CC)CC)CCCNC1
• Canonical SMILES: CCN(CC1CCCNC1)CC
• InChI: InChI=1S/C10H22N2/c1-3-12(4-2)9-10-6-5-7-11-8-10/h10-11H,3-9H2,1-2H3
• InChIKey: DOQHFNCPMZRSIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl(piperidin-3-ylmethyl)amine
• IUPAC Traditional name: diethyl(piperidin-3-ylmethyl)amine
• Synonyms: Diethyl-piperidin-3-ylmethyl-amine

Database IDs

• MDL Number: MFCD05215129
• PubChem SID: 160980491
• PubChem CID: 6484181

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.008114
• LogD (pH = 7.4): -2.9564898
• Log P: 1.0497011
• Molar Refractivity: 54.3609 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