diethyl[2-(piperidin-2-yl)ethyl]amine dihydrochloride

• ChemBase ID: 48064
• Molecular Formular: C11H26Cl2N2
• Molecular Mass: 257.24354
• Monoisotopic Mass: 256.1473042
• SMILES: N1C(CCN(CC)CC)CCCC1.Cl.Cl
• Canonical SMILES: CCN(CCC1CCCCN1)CC.Cl.Cl
• InChI: InChI=1S/C11H24N2.2ClH/c1-3-13(4-2)10-8-11-7-5-6-9-12-11;;/h11-12H,3-10H2,1-2H3;2*1H
• InChIKey: VYYRFELMMHOYEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl[2-(piperidin-2-yl)ethyl]amine dihydrochloride
• IUPAC Traditional name: diethyl[2-(piperidin-2-yl)ethyl]amine dihydrochloride
• Synonyms: N,N-Diethyl-2-(2-piperidinyl)-1-ethanamine dihydrochloride

Database IDs

• MDL Number: MFCD13561607
• PubChem SID: 162052827
• PubChem CID: 56831624

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.5962873
• LogD (pH = 7.4): -2.5412784
• Log P: 1.5094749
• Molar Refractivity: 58.8873 cm^3
• Polarizability: 23.35114 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false