(piperidin-2-ylmethyl)bis(prop-2-en-1-yl)amine dihydrochloride

• ChemBase ID: 48185
• Molecular Formular: C12H24Cl2N2
• Molecular Mass: 267.23836
• Monoisotopic Mass: 266.13165414
• SMILES: N1C(CN(CC=C)CC=C)CCCC1.Cl.Cl
• Canonical SMILES: C=CCN(CC1CCCCN1)CC=C.Cl.Cl
• InChI: InChI=1S/C12H22N2.2ClH/c1-3-9-14(10-4-2)11-12-7-5-6-8-13-12;;/h3-4,12-13H,1-2,5-11H2;2*1H
• InChIKey: YABRNPHQSUWTOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (piperidin-2-ylmethyl)bis(prop-2-en-1-yl)amine dihydrochloride
• IUPAC Traditional name: (piperidin-2-ylmethyl)bis(prop-2-en-1-yl)amine dihydrochloride
• Synonyms: N-Allyl-N-(2-piperidinylmethyl)-2-propen-1-amine dihydrochloride

Database IDs

• MDL Number: MFCD13561725
• PubChem SID: 162052948
• PubChem CID: 56831745

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.709825
• LogD (pH = 7.4): -0.33283123
• Log P: 2.1983988
• Molar Refractivity: 62.8501 cm^3
• Polarizability: 24.733665 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false