heptan-4-ol;[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]piperidine-1-carboxylate;2,4,6-trimethylphenol

C40H64N4O6 — CID 143294733

About heptan-4-ol;[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]piperidine-1-carboxylate;2,4,6-trimethylphenol

heptan-4-ol;[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]piperidine-1-carboxylate;2,4,6-trimethylphenol (PubChem CID 143294733) has the molecular formula C40H64N4O6 and a molecular weight of 696.97 g/mol. Its IUPAC name is heptan-4-ol;[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]piperidine-1-carboxylate;2,4,6-trimethylphenol.

Molecular Properties

• Compound Name: heptan-4-ol;[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]piperidine-1-carboxylate;2,4,6-trimethylphenol
• PubChem CID: 143294733
• Molecular Formula: C40H64N4O6
• Molecular Weight: 696.97 g/mol
• Exact Mass: 696.48
• IUPAC Name: heptan-4-ol;[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]piperidine-1-carboxylate;2,4,6-trimethylphenol
• SMILES: CCCC(O)CCC.CNc1ccccc1CCN(C=O)C1CCN(C(=O)OCC(=O)N2CCC(C)CC2)CC1.Cc1cc(C)c(O)c(C)c1
• InChI: InChI=1S/C24H36N4O4.C9H12O.C7H16O/c1-19-7-12-26(13-8-19)23(30)17-32-24(31)27-15-10-21(11-16-27)28(18-29)14-9-20-5-3-4-6-22(20)25-2;1-6-4-7(2)9(10)8(3)5-6;1-3-5-7(8)6-4-2/h3-6,18-19,21,25H,7-17H2,1-2H3;4-5,10H,1-3H3;7-8H,3-6H2,1-2H3
• InChIKey: QYZMPKVUUNCFDI-UHFFFAOYSA-N
• XLogP: 6.85
• TPSA: 122.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.97
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of heptan-4-ol;[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]piperidine-1-carboxylate;2,4,6-trimethylphenol?

The IUPAC name of heptan-4-ol;[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]piperidine-1-carboxylate;2,4,6-trimethylphenol (CID 143294733) is heptan-4-ol;[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]piperidine-1-carboxylate;2,4,6-trimethylphenol.

What is the SMILES notation for heptan-4-ol;[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]piperidine-1-carboxylate;2,4,6-trimethylphenol?

The canonical SMILES for heptan-4-ol;[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]piperidine-1-carboxylate;2,4,6-trimethylphenol is CCCC(O)CCC.CNc1ccccc1CCN(C=O)C1CCN(C(=O)OCC(=O)N2CCC(C)CC2)CC1.Cc1cc(C)c(O)c(C)c1.

What is the InChIKey of heptan-4-ol;[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]piperidine-1-carboxylate;2,4,6-trimethylphenol?

The InChIKey is QYZMPKVUUNCFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O4.C9H12O.C7H16O/c1-19-7-12-26(13-8-19)23(30)17-32-24(31)27-15-10-21(11-16-27)28(18-29)14-9-20-5-3-4-6-22(20)25-2;1-6-4-7(2)9(10)8(3)5-6;1-3-5-7(8)6-4-2/h3-6,18-19,21,25H,7-17H2,1-2H3;4-5,10H,1-3H3;7-8H,3-6H2,1-2H3.

What are the key properties of heptan-4-ol;[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]piperidine-1-carboxylate;2,4,6-trimethylphenol?

heptan-4-ol;[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]piperidine-1-carboxylate;2,4,6-trimethylphenol has a molecular weight of 696.97 g/mol, XLogP of 6.85, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for heptan-4-ol;[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[formyl-[2-[2-(methylamino)phenyl]ethyl]amino]piperidine-1-carboxylate;2,4,6-trimethylphenol is sourced from PubChem (CID 143294733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).