diethyl(piperidin-4-ylmethyl)amine dihydrochloride

• ChemBase ID: 47952
• Molecular Formular: C10H24Cl2N2
• Molecular Mass: 243.21696
• Monoisotopic Mass: 242.13165414
• SMILES: N1CCC(CN(CC)CC)CC1.Cl.Cl
• Canonical SMILES: CCN(CC1CCNCC1)CC.Cl.Cl
• InChI: InChI=1S/C10H22N2.2ClH/c1-3-12(4-2)9-10-5-7-11-8-6-10;;/h10-11H,3-9H2,1-2H3;2*1H
• InChIKey: RSKVSNAYZCFQBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl(piperidin-4-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: diethyl(piperidin-4-ylmethyl)amine dihydrochloride
• Synonyms: N-Ethyl-N-(4-piperidinylmethyl)-1-ethanamine dihydrochloride

Database IDs

• MDL Number: MFCD13561511
• PubChem SID: 162052715
• PubChem CID: 56831553

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false