1-[[4-[[4-[(E)-2-[1-(2-ethylpentyl)piperidin-4-yl]ethenyl]piperidin-1-yl]methyl]cyclohexyl]methyl]-4-(1-propylpiperidin-4-yl)piperidine

C40H74N4 — CID 143907232

About 1-[[4-[[4-[(E)-2-[1-(2-ethylpentyl)piperidin-4-yl]ethenyl]piperidin-1-yl]methyl]cyclohexyl]methyl]-4-(1-propylpiperidin-4-yl)piperidine

1-[[4-[[4-[(E)-2-[1-(2-ethylpentyl)piperidin-4-yl]ethenyl]piperidin-1-yl]methyl]cyclohexyl]methyl]-4-(1-propylpiperidin-4-yl)piperidine (PubChem CID 143907232) has the molecular formula C40H74N4 and a molecular weight of 611.06 g/mol. Its IUPAC name is 1-[[4-[[4-[(E)-2-[1-(2-ethylpentyl)piperidin-4-yl]ethenyl]piperidin-1-yl]methyl]cyclohexyl]methyl]-4-(1-propylpiperidin-4-yl)piperidine.

Molecular Properties

• Compound Name: 1-[[4-[[4-[(E)-2-[1-(2-ethylpentyl)piperidin-4-yl]ethenyl]piperidin-1-yl]methyl]cyclohexyl]methyl]-4-(1-propylpiperidin-4-yl)piperidine
• PubChem CID: 143907232
• Molecular Formula: C40H74N4
• Molecular Weight: 611.06 g/mol
• Exact Mass: 610.59
• IUPAC Name: 1-[[4-[[4-[(E)-2-[1-(2-ethylpentyl)piperidin-4-yl]ethenyl]piperidin-1-yl]methyl]cyclohexyl]methyl]-4-(1-propylpiperidin-4-yl)piperidine
• SMILES: CCCC(CC)CN1CCC(/C=C/C2CCN(CC3CCC(CN4CCC(C5CCN(CCC)CC5)CC4)CC3)CC2)CC1
• InChI: InChI=1S/C40H74N4/c1-4-7-34(6-3)31-42-23-14-35(15-24-42)8-9-36-16-25-43(26-17-36)32-37-10-12-38(13-11-37)33-44-29-20-40(21-30-44)39-18-27-41(22-5-2)28-19-39/h8-9,34-40H,4-7,10-33H2,1-3H3/b9-8+
• InChIKey: IMYFBRAECUHAHY-CMDGGOBGSA-N
• XLogP: 8.43
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.06
LogP ≤ 5	8.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[4-[(E)-2-[1-(2-ethylpentyl)piperidin-4-yl]ethenyl]piperidin-1-yl]methyl]cyclohexyl]methyl]-4-(1-propylpiperidin-4-yl)piperidine?

The IUPAC name of 1-[[4-[[4-[(E)-2-[1-(2-ethylpentyl)piperidin-4-yl]ethenyl]piperidin-1-yl]methyl]cyclohexyl]methyl]-4-(1-propylpiperidin-4-yl)piperidine (CID 143907232) is 1-[[4-[[4-[(E)-2-[1-(2-ethylpentyl)piperidin-4-yl]ethenyl]piperidin-1-yl]methyl]cyclohexyl]methyl]-4-(1-propylpiperidin-4-yl)piperidine.

What is the SMILES notation for 1-[[4-[[4-[(E)-2-[1-(2-ethylpentyl)piperidin-4-yl]ethenyl]piperidin-1-yl]methyl]cyclohexyl]methyl]-4-(1-propylpiperidin-4-yl)piperidine?

The canonical SMILES for 1-[[4-[[4-[(E)-2-[1-(2-ethylpentyl)piperidin-4-yl]ethenyl]piperidin-1-yl]methyl]cyclohexyl]methyl]-4-(1-propylpiperidin-4-yl)piperidine is CCCC(CC)CN1CCC(/C=C/C2CCN(CC3CCC(CN4CCC(C5CCN(CCC)CC5)CC4)CC3)CC2)CC1.

What is the InChIKey of 1-[[4-[[4-[(E)-2-[1-(2-ethylpentyl)piperidin-4-yl]ethenyl]piperidin-1-yl]methyl]cyclohexyl]methyl]-4-(1-propylpiperidin-4-yl)piperidine?

The InChIKey is IMYFBRAECUHAHY-CMDGGOBGSA-N. The full InChI is InChI=1S/C40H74N4/c1-4-7-34(6-3)31-42-23-14-35(15-24-42)8-9-36-16-25-43(26-17-36)32-37-10-12-38(13-11-37)33-44-29-20-40(21-30-44)39-18-27-41(22-5-2)28-19-39/h8-9,34-40H,4-7,10-33H2,1-3H3/b9-8+.

What are the key properties of 1-[[4-[[4-[(E)-2-[1-(2-ethylpentyl)piperidin-4-yl]ethenyl]piperidin-1-yl]methyl]cyclohexyl]methyl]-4-(1-propylpiperidin-4-yl)piperidine?

1-[[4-[[4-[(E)-2-[1-(2-ethylpentyl)piperidin-4-yl]ethenyl]piperidin-1-yl]methyl]cyclohexyl]methyl]-4-(1-propylpiperidin-4-yl)piperidine has a molecular weight of 611.06 g/mol, XLogP of 8.43, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-[[4-[(E)-2-[1-(2-ethylpentyl)piperidin-4-yl]ethenyl]piperidin-1-yl]methyl]cyclohexyl]methyl]-4-(1-propylpiperidin-4-yl)piperidine is sourced from PubChem (CID 143907232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).