N,N-bis(prop-2-en-1-yl)piperidine-3-carboxamide hydrochloride

• ChemBase ID: 48967
• Molecular Formular: C12H21ClN2O
• Molecular Mass: 244.76094
• Monoisotopic Mass: 244.13424098
• SMILES: C(=O)(C1CNCCC1)N(CC=C)CC=C.Cl
• Canonical SMILES: C=CCN(C(=O)C1CCCNC1)CC=C.Cl
• InChI: InChI=1S/C12H20N2O.ClH/c1-3-8-14(9-4-2)12(15)11-6-5-7-13-10-11;/h3-4,11,13H,1-2,5-10H2;1H
• InChIKey: OSWWYPMXFMWMSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis(prop-2-en-1-yl)piperidine-3-carboxamide hydrochloride
• IUPAC Traditional name: N,N-bis(prop-2-en-1-yl)piperidine-3-carboxamide hydrochloride
• Synonyms: N,N-Diallyl-3-piperidinecarboxamide hydrochloride

Database IDs

• MDL Number: MFCD13562203
• PubChem SID: 162053730
• PubChem CID: 53410658

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0469456
• LogD (pH = 7.4): -1.0285008
• Log P: 1.1390488
• Molar Refractivity: 62.8623 cm^3
• Polarizability: 24.360344 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false