1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(4-methylsulfonylphenyl)piperidine;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine;3-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-3-azaspiro[5.5]undecane;1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine
C148H217Cl2F6N7O3S — CID 158419272
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(4-methylsulfonylphenyl)piperidine;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine;3-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-3-azaspiro[5.5]undecane;1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;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)N1CCC2(CCCCC2)CC1.CC(C)=CC(CC(C)(C)c1ccc(C)cc1)N1CCC(C(C)C)CC1.CC(C)=CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(C)(C)CC1.CC(C)=CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(c2ccc(S(C)(=O)=O)cc2)CC1.COc1ccc(C(C)(C)CC(C=C(C)C)N2CCC(c3ccncc3)CC2)cc1
InChIInChI=1S/C27H36ClNO2S.C26H38F3N.C26H36N2O.C24H39N.C23H34F3N.C22H34ClN/c1-20(2)18-25(19-27(3,4)23-8-10-24(28)11-9-23)29-16-14-22(15-17-29)21-6-12-26(13-7-21)32(5,30)31;1-20(2)18-23(30-16-14-25(15-17-30)12-6-5-7-13-25)19-24(3,4)21-8-10-22(11-9-21)26(27,28)29;1-20(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;1-18(2)16-23(25-14-12-21(13-15-25)19(3)4)17-24(6,7)22-10-8-20(5)9-11-22;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;1-17(2)15-20(24-13-11-21(3,4)12-14-24)16-22(5,6)18-7-9-19(23)10-8-18/h6-13,18,22,25H,14-17,19H2,1-5H3;8-11,18,23H,5-7,12-17,19H2,1-4H3;6-11,14-15,18,22,24H,12-13,16-17,19H2,1-5H3;8-11,16,19,21,23H,12-15,17H2,1-7H3;7-10,15,20H,11-14,16H2,1-6H3;7-10,15,20H,11-14,16H2,1-6H3
InChIKeyHAHCOBKETOZRFH-UHFFFAOYSA-N
MW2359.37 g/mol
LogP40.01
Rot. Bonds35
About 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(4-methylsulfonylphenyl)piperidine;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine;3-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-3-azaspiro[5.5]undecane;1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine
1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(4-methylsulfonylphenyl)piperidine;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine;3-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-3-azaspiro[5.5]undecane;1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine (PubChem CID 158419272) has the molecular formula C148H217Cl2F6N7O3S and a molecular weight of 2359.37 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(4-methylsulfonylphenyl)piperidine;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine;3-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-3-azaspiro[5.5]undecane;1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine.
Molecular Properties
| Compound Name | 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(4-methylsulfonylphenyl)piperidine;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine;3-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-3-azaspiro[5.5]undecane;1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine |
|---|---|
| PubChem CID | 158419272 |
| Molecular Formula | C148H217Cl2F6N7O3S |
| Molecular Weight | 2359.37 g/mol |
| Exact Mass | 2356.60 |
| IUPAC Name | 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(4-methylsulfonylphenyl)piperidine;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine;3-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-3-azaspiro[5.5]undecane;1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine |
| SMILES | 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)N1CCC2(CCCCC2)CC1.CC(C)=CC(CC(C)(C)c1ccc(C)cc1)N1CCC(C(C)C)CC1.CC(C)=CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(C)(C)CC1.CC(C)=CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(c2ccc(S(C)(=O)=O)cc2)CC1.COc1ccc(C(C)(C)CC(C=C(C)C)N2CCC(c3ccncc3)CC2)cc1 |
| InChI | InChI=1S/C27H36ClNO2S.C26H38F3N.C26H36N2O.C24H39N.C23H34F3N.C22H34ClN/c1-20(2)18-25(19-27(3,4)23-8-10-24(28)11-9-23)29-16-14-22(15-17-29)21-6-12-26(13-7-21)32(5,30)31;1-20(2)18-23(30-16-14-25(15-17-30)12-6-5-7-13-25)19-24(3,4)21-8-10-22(11-9-21)26(27,28)29;1-20(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;1-18(2)16-23(25-14-12-21(13-15-25)19(3)4)17-24(6,7)22-10-8-20(5)9-11-22;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;1-17(2)15-20(24-13-11-21(3,4)12-14-24)16-22(5,6)18-7-9-19(23)10-8-18/h6-13,18,22,25H,14-17,19H2,1-5H3;8-11,18,23H,5-7,12-17,19H2,1-4H3;6-11,14-15,18,22,24H,12-13,16-17,19H2,1-5H3;8-11,16,19,21,23H,12-15,17H2,1-7H3;7-10,15,20H,11-14,16H2,1-6H3;7-10,15,20H,11-14,16H2,1-6H3 |
| InChIKey | HAHCOBKETOZRFH-UHFFFAOYSA-N |
| XLogP | 40.01 |
| TPSA | 75.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 167 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2359.37 |
| LogP ≤ 5 | 40.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(4-methylsulfonylphenyl)piperidine;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine;3-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-3-azaspiro[5.5]undecane;1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine?
The IUPAC name of 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(4-methylsulfonylphenyl)piperidine;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine;3-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-3-azaspiro[5.5]undecane;1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine (CID 158419272) is 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(4-methylsulfonylphenyl)piperidine;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine;3-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-3-azaspiro[5.5]undecane;1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine.
What is the SMILES notation for 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(4-methylsulfonylphenyl)piperidine;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine;3-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-3-azaspiro[5.5]undecane;1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine?
The canonical SMILES for 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(4-methylsulfonylphenyl)piperidine;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine;3-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-3-azaspiro[5.5]undecane;1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;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)N1CCC2(CCCCC2)CC1.CC(C)=CC(CC(C)(C)c1ccc(C)cc1)N1CCC(C(C)C)CC1.CC(C)=CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(C)(C)CC1.CC(C)=CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(c2ccc(S(C)(=O)=O)cc2)CC1.COc1ccc(C(C)(C)CC(C=C(C)C)N2CCC(c3ccncc3)CC2)cc1.
What is the InChIKey of 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(4-methylsulfonylphenyl)piperidine;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine;3-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-3-azaspiro[5.5]undecane;1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine?
The InChIKey is HAHCOBKETOZRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36ClNO2S.C26H38F3N.C26H36N2O.C24H39N.C23H34F3N.C22H34ClN/c1-20(2)18-25(19-27(3,4)23-8-10-24(28)11-9-23)29-16-14-22(15-17-29)21-6-12-26(13-7-21)32(5,30)31;1-20(2)18-23(30-16-14-25(15-17-30)12-6-5-7-13-25)19-24(3,4)21-8-10-22(11-9-21)26(27,28)29;1-20(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;1-18(2)16-23(25-14-12-21(13-15-25)19(3)4)17-24(6,7)22-10-8-20(5)9-11-22;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;1-17(2)15-20(24-13-11-21(3,4)12-14-24)16-22(5,6)18-7-9-19(23)10-8-18/h6-13,18,22,25H,14-17,19H2,1-5H3;8-11,18,23H,5-7,12-17,19H2,1-4H3;6-11,14-15,18,22,24H,12-13,16-17,19H2,1-5H3;8-11,16,19,21,23H,12-15,17H2,1-7H3;7-10,15,20H,11-14,16H2,1-6H3;7-10,15,20H,11-14,16H2,1-6H3.
What are the key properties of 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(4-methylsulfonylphenyl)piperidine;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine;3-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-3-azaspiro[5.5]undecane;1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine?
1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(4-methylsulfonylphenyl)piperidine;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine;3-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-3-azaspiro[5.5]undecane;1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine has a molecular weight of 2359.37 g/mol, XLogP of 40.01, 35 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(4-methylsulfonylphenyl)piperidine;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-propan-2-ylpiperidine;3-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-3-azaspiro[5.5]undecane;1-[2,6-dimethyl-6-[4-(trifluoromethyl)phenyl]hept-2-en-4-yl]-4,4-dimethylpiperidine;4-[1-[6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]pyridine is sourced from PubChem (CID 158419272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158419272 — identifiers, structure, computed properties (public domain)
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