diethyl(piperidin-3-ylmethyl)amine dihydrochloride

• ChemBase ID: 47923
• Molecular Formular: C10H24Cl2N2
• Molecular Mass: 243.21696
• Monoisotopic Mass: 242.13165414
• SMILES: N1CC(CN(CC)CC)CCC1.Cl.Cl
• Canonical SMILES: CCN(CC1CCCNC1)CC.Cl.Cl
• InChI: InChI=1S/C10H22N2.2ClH/c1-3-12(4-2)9-10-6-5-7-11-8-10;;/h10-11H,3-9H2,1-2H3;2*1H
• InChIKey: NKTRVUROXYAALR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl(piperidin-3-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: diethyl(piperidin-3-ylmethyl)amine dihydrochloride
• Synonyms: N-Ethyl-N-(3-piperidinylmethyl)-1-ethanamine dihydrochloride; diethyl(piperidin-3-ylmethyl)amine dihydrochloride

Database IDs

• MDL Number: MFCD13561485
• PubChem SID: 162052686
• PubChem CID: 47002519

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

Physical Property

• Melting Point: 150 - 152°C
• Hydrophobicity(logP): 1.307

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%