N,N-bis(prop-2-en-1-yl)piperidin-4-amine dihydrochloride

• ChemBase ID: 48014
• Molecular Formular: C11H22Cl2N2
• Molecular Mass: 253.21178
• Monoisotopic Mass: 252.11600407
• SMILES: N1CCC(N(CC=C)CC=C)CC1.Cl.Cl
• Canonical SMILES: C=CCN(C1CCNCC1)CC=C.Cl.Cl
• InChI: InChI=1S/C11H20N2.2ClH/c1-3-9-13(10-4-2)11-5-7-12-8-6-11;;/h3-4,11-12H,1-2,5-10H2;2*1H
• InChIKey: KXECKLHRISHDNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis(prop-2-en-1-yl)piperidin-4-amine dihydrochloride
• IUPAC Traditional name: N,N-bis(prop-2-en-1-yl)piperidin-4-amine dihydrochloride
• Synonyms: N,N-Diallyl-4-piperidinamine dihydrochloride

Database IDs

• MDL Number: MFCD13561567
• PubChem SID: 162052777
• PubChem CID: 53410661

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.928819
• LogD (pH = 7.4): -1.7834293
• Log P: 1.2964272
• Molar Refractivity: 58.4699 cm^3
• Polarizability: 22.886656 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false