N,N-dimethyl-4-(piperidin-1-yl)piperidine-4-carboxamide hydrochloride

• ChemBase ID: 50801
• Molecular Formular: C13H26ClN3O
• Molecular Mass: 275.81804
• Monoisotopic Mass: 275.17644015
• SMILES: C1(C(=O)N(C)C)(N2CCCCC2)CCNCC1.Cl
• Canonical SMILES: CN(C(=O)C1(CCNCC1)N1CCCCC1)C.Cl
• InChI: InChI=1S/C13H25N3O.ClH/c1-15(2)12(17)13(6-8-14-9-7-13)16-10-4-3-5-11-16;/h14H,3-11H2,1-2H3;1H
• InChIKey: ZSGWTPOAUJRRGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-(piperidin-1-yl)piperidine-4-carboxamide hydrochloride
• IUPAC Traditional name: N,N-dimethyl-4-(piperidin-1-yl)piperidine-4-carboxamide hydrochloride
• Synonyms: N,N-Dimethyl-4-(piperidin-1-yl)piperidine-4-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD14581673
• PubChem SID: 162055564
• PubChem CID: 50853304

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.042381
• LogD (pH = 7.4): -2.8159997
• Log P: 0.030833762
• Molar Refractivity: 70.0265 cm^3
• Polarizability: 27.476744 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%