N,N-diethylpiperidin-4-amine dihydrochloride

• ChemBase ID: 48008
• Molecular Formular: C9H22Cl2N2
• Molecular Mass: 229.19038
• Monoisotopic Mass: 228.11600407
• SMILES: N1CCC(N(CC)CC)CC1.Cl.Cl
• Canonical SMILES: CCN(C1CCNCC1)CC.Cl.Cl
• InChI: InChI=1S/C9H20N2.2ClH/c1-3-11(4-2)9-5-7-10-8-6-9;;/h9-10H,3-8H2,1-2H3;2*1H
• InChIKey: JJGBVMJOHGBPJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethylpiperidin-4-amine dihydrochloride
• IUPAC Traditional name: N,N-diethylpiperidin-4-amine dihydrochloride
• Synonyms: N,N-Diethyl-4-piperidinamine dihydrochloride

Database IDs

• CAS Number: 50534-25-3
• MDL Number: MFCD13561563
• PubChem SID: 162052771
• PubChem CID: 53410672

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.317313
• LogD (pH = 7.4): -3.2592852
• Log P: 0.5475436
• Molar Refractivity: 49.6417 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false