N,N-dimethyl-3-[6-methyl-2-(piperidin-3-yl)pyrimidin-4-yl]propanamide dihydrochloride

• ChemBase ID: 63042
• Molecular Formular: C15H26Cl2N4O
• Molecular Mass: 349.29914
• Monoisotopic Mass: 348.14836683
• SMILES: c1(nc(cc(n1)C)CCC(=O)N(C)C)C1CNCCC1.Cl.Cl
• Canonical SMILES: O=C(N(C)C)CCc1cc(C)nc(n1)C1CCCNC1.Cl.Cl
• InChI: InChI=1S/C15H24N4O.2ClH/c1-11-9-13(6-7-14(20)19(2)3)18-15(17-11)12-5-4-8-16-10-12;;/h9,12,16H,4-8,10H2,1-3H3;2*1H
• InChIKey: LYSPKQSQTPGADD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-[6-methyl-2-(piperidin-3-yl)pyrimidin-4-yl]propanamide dihydrochloride
• IUPAC Traditional name: N,N-dimethyl-3-[6-methyl-2-(piperidin-3-yl)pyrimidin-4-yl]propanamide dihydrochloride
• Synonyms: N,N-Dimethyl-3-(6-methyl-2-piperidin-3-yl-pyrimidin-4-yl)-propionamide dihydrochloride

Database IDs

• MDL Number: MFCD21606265
• PubChem SID: 162028781
• PubChem CID: 71298990

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.6839354
• LogD (pH = 7.4): -1.4824498
• Log P: 0.59284484
• Molar Refractivity: 79.3162 cm^3
• Polarizability: 30.644356 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false