1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;2-[1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]piperidin-4-yl]ethanol;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine

C72H104F6N4O2 — CID 158085258

IUPAC1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;2-[1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]piperidin-4-yl]ethanol;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine
SMILESCC(C)=CC(CC(C)(C)c1ccc(C(F)(F)F)cc1)N1CCC(C)(C)CC1.CC(C)=CC(CC(C)(C)c1ccc(C(F)(F)F)cc1)N1CCC(CCO)CC1.COc1ccc(C(C)(C)CC(C=C(C)C)N2CCC(c3ccncc3)CC2)cc1
InChIInChI=1S/C26H36N2O.C23H34F3NO.C23H34F3N/c1-20(2)18-24(19-26(3,4)23-6-8-25(29-5)9-7-23)28-16-12-22(13-17-28)21-10-14-27-15-11-21;1-17(2)15-21(27-12-9-18(10-13-27)11-14-28)16-22(3,4)19-5-7-20(8-6-19)23(24,25)26;1-17(2)15-20(27-13-11-21(3,4)12-14-27)16-22(5,6)18-7-9-19(10-8-18)23(24,25)26/h6-11,14-15,18,22,24H,12-13,16-17,19H2,1-5H3;5-8,15,18,21,28H,9-14,16H2,1-4H3;7-10,15,20H,11-14,16H2,1-6H3
InChIKeyFNKYXLHCLLWSDT-UHFFFAOYSA-N
MW1171.64 g/mol
LogP18.60
Rot. Bonds19

About 1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;2-[1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]piperidin-4-yl]ethanol;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine

1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;2-[1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]piperidin-4-yl]ethanol;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine (PubChem CID 158085258) has the molecular formula C72H104F6N4O2 and a molecular weight of 1171.64 g/mol. Its IUPAC name is 1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;2-[1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]piperidin-4-yl]ethanol;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine.

Molecular Properties

Compound Name1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;2-[1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]piperidin-4-yl]ethanol;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine
PubChem CID158085258
Molecular FormulaC72H104F6N4O2
Molecular Weight1171.64 g/mol
Exact Mass1170.81
IUPAC Name1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;2-[1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]piperidin-4-yl]ethanol;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine
SMILESCC(C)=CC(CC(C)(C)c1ccc(C(F)(F)F)cc1)N1CCC(C)(C)CC1.CC(C)=CC(CC(C)(C)c1ccc(C(F)(F)F)cc1)N1CCC(CCO)CC1.COc1ccc(C(C)(C)CC(C=C(C)C)N2CCC(c3ccncc3)CC2)cc1
InChIInChI=1S/C26H36N2O.C23H34F3NO.C23H34F3N/c1-20(2)18-24(19-26(3,4)23-6-8-25(29-5)9-7-23)28-16-12-22(13-17-28)21-10-14-27-15-11-21;1-17(2)15-21(27-12-9-18(10-13-27)11-14-28)16-22(3,4)19-5-7-20(8-6-19)23(24,25)26;1-17(2)15-20(27-13-11-21(3,4)12-14-27)16-22(5,6)18-7-9-19(10-8-18)23(24,25)26/h6-11,14-15,18,22,24H,12-13,16-17,19H2,1-5H3;5-8,15,18,21,28H,9-14,16H2,1-4H3;7-10,15,20H,11-14,16H2,1-6H3
InChIKeyFNKYXLHCLLWSDT-UHFFFAOYSA-N
XLogP18.60
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001171.64
LogP ≤ 518.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;2-[1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]piperidin-4-yl]ethanol;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine with MolForge

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Related Compounds

US11214540, Example 29
CID 142475272
6-(4-(tert-Butyl)phenyl)-5-(4-methoxyphenyl)-4-phenyl-3-(4-(trifluoromethyl)phenyl)-2,2'-bipyridine
CID 86341883
3-(4-(tert-Butyl)phenyl)-4-(4-methoxyphenyl)-5-phenyl-6-(4-(trifluoromethyl)phenyl)-2,2'-bipyridine
CID 86341899
Diphenyl(1-(3-(4-(pyridin-4-yl)phenoxy)propyl)piperidin-4-yl)methanol
CID 51003816
4-(4-Methoxyphenyl)-1-[[4-[tris[4-[[4-(4-methoxyphenyl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]phenyl]methyl]pyridin-1-ium tetrachloride
CID 177650523
4-[Bis[4-(trifluoromethoxy)phenyl]methyl]-1-oxido-1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-1-ium-4-ol
CID 11331121
{1-[(4-(2-Pyridyloxy)phenyl)methyl](4-piperidyl)}[4-(trifluoromethyl)phenyl]methanol
CID 11554030
4-{Bis[4-(trifluoromethoxy)phenyl]methyl}-1-[(4-(2-pyridyloxy)phenyl)methyl]piperidin-4-ol
CID 11664473
[1-[(4-Pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol
CID 15452130
1-[Bis[4-(trifluoromethyl)phenyl]methyl]-4-[(4-pyridin-2-yloxyphenyl)methyl]piperazine
CID 18348183
1,1,1,3,3,3-Hexafluoro-2-[4-[4-[[4-[(6-methoxypyridin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
CID 46891653
5-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[4-[2-[4-[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridin-2-yl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]pyridine
CID 57968013

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;2-[1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]piperidin-4-yl]ethanol;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine?
The IUPAC name of 1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;2-[1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]piperidin-4-yl]ethanol;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine (CID 158085258) is 1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;2-[1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]piperidin-4-yl]ethanol;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine.
What is the SMILES notation for 1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;2-[1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]piperidin-4-yl]ethanol;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine?
The canonical SMILES for 1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;2-[1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]piperidin-4-yl]ethanol;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine is CC(C)=CC(CC(C)(C)c1ccc(C(F)(F)F)cc1)N1CCC(C)(C)CC1.CC(C)=CC(CC(C)(C)c1ccc(C(F)(F)F)cc1)N1CCC(CCO)CC1.COc1ccc(C(C)(C)CC(C=C(C)C)N2CCC(c3ccncc3)CC2)cc1.
What is the InChIKey of 1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;2-[1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]piperidin-4-yl]ethanol;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine?
The InChIKey is FNKYXLHCLLWSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O.C23H34F3NO.C23H34F3N/c1-20(2)18-24(19-26(3,4)23-6-8-25(29-5)9-7-23)28-16-12-22(13-17-28)21-10-14-27-15-11-21;1-17(2)15-21(27-12-9-18(10-13-27)11-14-28)16-22(3,4)19-5-7-20(8-6-19)23(24,25)26;1-17(2)15-20(27-13-11-21(3,4)12-14-27)16-22(5,6)18-7-9-19(10-8-18)23(24,25)26/h6-11,14-15,18,22,24H,12-13,16-17,19H2,1-5H3;5-8,15,18,21,28H,9-14,16H2,1-4H3;7-10,15,20H,11-14,16H2,1-6H3.
What are the key properties of 1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;2-[1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]piperidin-4-yl]ethanol;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine?
1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;2-[1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]piperidin-4-yl]ethanol;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine has a molecular weight of 1171.64 g/mol, XLogP of 18.60, 19 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;2-[1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]piperidin-4-yl]ethanol;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine is sourced from PubChem (CID 158085258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).