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

C44H86N4 — CID 143907231

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

ethane;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 143907231) has the molecular formula C44H86N4 and a molecular weight of 671.20 g/mol. Its IUPAC name is ethane;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: ethane;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: 143907231
• Molecular Formula: C44H86N4
• Molecular Weight: 671.20 g/mol
• Exact Mass: 670.69
• IUPAC Name: ethane;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: CC.CC.CCCC(CC)CN1CCC(/C=C/C2CCN(CC3CCC(CN4CCC(C5CCN(CCC)CC5)CC4)CC3)CC2)CC1
• InChI: InChI=1S/C40H74N4.2C2H6/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;2*1-2/h8-9,34-40H,4-7,10-33H2,1-3H3;2*1-2H3/b9-8+
• InChIKey: HFSHFILWYMHUKE-YEUQMBKVSA-N
• XLogP: 10.49
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	671.20
LogP ≤ 5	10.49
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 ethane;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 ethane;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 143907231) is ethane;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 ethane;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 ethane;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 CC.CC.CCCC(CC)CN1CCC(/C=C/C2CCN(CC3CCC(CN4CCC(C5CCN(CCC)CC5)CC4)CC3)CC2)CC1.

What is the InChIKey of ethane;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 HFSHFILWYMHUKE-YEUQMBKVSA-N. The full InChI is InChI=1S/C40H74N4.2C2H6/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;2*1-2/h8-9,34-40H,4-7,10-33H2,1-3H3;2*1-2H3/b9-8+;;.

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

ethane;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 671.20 g/mol, XLogP of 10.49, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;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 143907231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).