dimethyl[2-(piperidin-4-yl)ethyl]amine dihydrochloride

• ChemBase ID: 48120
• Molecular Formular: C9H22Cl2N2
• Molecular Mass: 229.19038
• Monoisotopic Mass: 228.11600407
• SMILES: N1CCC(CCN(C)C)CC1.Cl.Cl
• Canonical SMILES: CN(CCC1CCNCC1)C.Cl.Cl
• InChI: InChI=1S/C9H20N2.2ClH/c1-11(2)8-5-9-3-6-10-7-4-9;;/h9-10H,3-8H2,1-2H3;2*1H
• InChIKey: YAANHSFIXZSURN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[2-(piperidin-4-yl)ethyl]amine dihydrochloride
• IUPAC Traditional name: dimethyl[2-(piperidin-4-yl)ethyl]amine dihydrochloride
• Synonyms: N,N-Dimethyl-2-(4-piperidinyl)-1-ethanamine dihydrochloride

Database IDs

• MDL Number: MFCD07368299
• PubChem SID: 162052883
• PubChem CID: 19085438

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.999991
• LogD (pH = 7.4): -4.432893
• Log P: 0.66114336
• Molar Refractivity: 49.6405 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