1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;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

C71H104ClF3N4O — CID 167548884

IUPAC1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;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(Cl)cc1)N1CCC(C)(C)CC1.COc1ccc(C(C)(C)CC(C=C(C)C)N2CCC(c3ccncc3)CC2)cc1
InChIInChI=1S/C26H36N2O.C23H34F3N.C22H34ClN/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)15-20(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/h6-11,14-15,18,22,24H,12-13,16-17,19H2,1-5H3;7-10,15,20H,11-14,16H2,1-6H3;7-10,15,20H,11-14,16H2,1-6H3
InChIKeyCDRFPSZBNDDSGO-UHFFFAOYSA-N
MW1122.09 g/mol
LogP19.27
Rot. Bonds17

About 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;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-[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 167548884) has the molecular formula C71H104ClF3N4O and a molecular weight of 1122.09 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;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 Name1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;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 CID167548884
Molecular FormulaC71H104ClF3N4O
Molecular Weight1122.09 g/mol
Exact Mass1120.79
IUPAC Name1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;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(Cl)cc1)N1CCC(C)(C)CC1.COc1ccc(C(C)(C)CC(C=C(C)C)N2CCC(c3ccncc3)CC2)cc1
InChIInChI=1S/C26H36N2O.C23H34F3N.C22H34ClN/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)15-20(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/h6-11,14-15,18,22,24H,12-13,16-17,19H2,1-5H3;7-10,15,20H,11-14,16H2,1-6H3;7-10,15,20H,11-14,16H2,1-6H3
InChIKeyCDRFPSZBNDDSGO-UHFFFAOYSA-N
XLogP19.27
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001122.09
LogP ≤ 519.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;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-[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 167548884) is 1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4,4-dimethylpiperidine;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-[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-[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(Cl)cc1)N1CCC(C)(C)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-[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 CDRFPSZBNDDSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O.C23H34F3N.C22H34ClN/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)15-20(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/h6-11,14-15,18,22,24H,12-13,16-17,19H2,1-5H3;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-[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-[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 1122.09 g/mol, XLogP of 19.27, 17 rotatable bonds, 0 hydrogen bond donors, and 5 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-[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 167548884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).