tert-butyl 4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine-1-carboxylate;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine;2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-methylpiperidine;4-[1-[2,6-dimethyl-6-(4-methylsulfonylphenyl)hept-2-en-4-yl]piperidin-4-yl]pyridine;2-methylpropyl 4-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]piperazine-1-carboxylate

C139H211Cl2F2N9O7S — CID 159488516

About tert-butyl 4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine-1-carboxylate;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine;2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-methylpiperidine;4-[1-[2,6-dimethyl-6-(4-methylsulfonylphenyl)hept-2-en-4-yl]piperidin-4-yl]pyridine;2-methylpropyl 4-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]piperazine-1-carboxylate

tert-butyl 4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine-1-carboxylate;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine;2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-methylpiperidine;4-[1-[2,6-dimethyl-6-(4-methylsulfonylphenyl)hept-2-en-4-yl]piperidin-4-yl]pyridine;2-methylpropyl 4-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]piperazine-1-carboxylate (PubChem CID 159488516) has the molecular formula C139H211Cl2F2N9O7S and a molecular weight of 2261.24 g/mol. Its IUPAC name is tert-butyl 4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine-1-carboxylate;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine;2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-methylpiperidine;4-[1-[2,6-dimethyl-6-(4-methylsulfonylphenyl)hept-2-en-4-yl]piperidin-4-yl]pyridine;2-methylpropyl 4-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine-1-carboxylate;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine;2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-methylpiperidine;4-[1-[2,6-dimethyl-6-(4-methylsulfonylphenyl)hept-2-en-4-yl]piperidin-4-yl]pyridine;2-methylpropyl 4-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]piperazine-1-carboxylate
• PubChem CID: 159488516
• Molecular Formula: C139H211Cl2F2N9O7S
• Molecular Weight: 2261.24 g/mol
• Exact Mass: 2258.55
• IUPAC Name: tert-butyl 4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine-1-carboxylate;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine;2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-methylpiperidine;4-[1-[2,6-dimethyl-6-(4-methylsulfonylphenyl)hept-2-en-4-yl]piperidin-4-yl]pyridine;2-methylpropyl 4-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]piperazine-1-carboxylate
• SMILES: CC(C)=CC(CC(C)(C)c1ccc(C)cc1)N1CCC(C)CC1.CC(C)=CC(CC(C)(C)c1ccc(C)cc1)N1CCN(C(=O)OCC(C)C)CC1.CC(C)=CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(CCO)CC1.CC(C)=CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(F)CC1.CC(C)=CC(CC(C)(C)c1ccc(F)cc1)N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)=CC(CC(C)(C)c1ccc(S(C)(=O)=O)cc1)N1CCC(c2ccncc2)CC1
• InChI: InChI=1S/C26H36N2O2S.C25H40N2O2.C24H37FN2O2.C22H34ClNO.C22H35N.C20H29ClFN/c1-20(2)18-24(28-16-12-22(13-17-28)21-10-14-27-15-11-21)19-26(3,4)23-6-8-25(9-7-23)31(5,29)30;1-19(2)16-23(17-25(6,7)22-10-8-21(5)9-11-22)26-12-14-27(15-13-26)24(28)29-18-20(3)4;1-18(2)16-21(17-24(6,7)19-8-10-20(25)11-9-19)26-12-14-27(15-13-26)22(28)29-23(3,4)5;1-17(2)15-21(24-12-9-18(10-13-24)11-14-25)16-22(3,4)19-5-7-20(23)8-6-19;1-17(2)15-21(23-13-11-19(4)12-14-23)16-22(5,6)20-9-7-18(3)8-10-20;1-15(2)13-19(23-11-9-18(22)10-12-23)14-20(3,4)16-5-7-17(21)8-6-16/h6-11,14-15,18,22,24H,12-13,16-17,19H2,1-5H3;8-11,16,20,23H,12-15,17-18H2,1-7H3;8-11,16,21H,12-15,17H2,1-7H3;5-8,15,18,21,25H,9-14,16H2,1-4H3;7-10,15,19,21H,11-14,16H2,1-6H3;5-8,13,18-19H,9-12,14H2,1-4H3
• InChIKey: LXWRKDGAXFQBAS-UHFFFAOYSA-N
• XLogP: 33.10
• TPSA: 145.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 36
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2261.24
LogP ≤ 5	33.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine-1-carboxylate;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine;2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-methylpiperidine;4-[1-[2,6-dimethyl-6-(4-methylsulfonylphenyl)hept-2-en-4-yl]piperidin-4-yl]pyridine;2-methylpropyl 4-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]piperazine-1-carboxylate?

The IUPAC name of tert-butyl 4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine-1-carboxylate;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine;2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-methylpiperidine;4-[1-[2,6-dimethyl-6-(4-methylsulfonylphenyl)hept-2-en-4-yl]piperidin-4-yl]pyridine;2-methylpropyl 4-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]piperazine-1-carboxylate (CID 159488516) is tert-butyl 4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine-1-carboxylate;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine;2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-methylpiperidine;4-[1-[2,6-dimethyl-6-(4-methylsulfonylphenyl)hept-2-en-4-yl]piperidin-4-yl]pyridine;2-methylpropyl 4-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]piperazine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine-1-carboxylate;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine;2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-methylpiperidine;4-[1-[2,6-dimethyl-6-(4-methylsulfonylphenyl)hept-2-en-4-yl]piperidin-4-yl]pyridine;2-methylpropyl 4-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]piperazine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine-1-carboxylate;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine;2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-methylpiperidine;4-[1-[2,6-dimethyl-6-(4-methylsulfonylphenyl)hept-2-en-4-yl]piperidin-4-yl]pyridine;2-methylpropyl 4-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]piperazine-1-carboxylate is CC(C)=CC(CC(C)(C)c1ccc(C)cc1)N1CCC(C)CC1.CC(C)=CC(CC(C)(C)c1ccc(C)cc1)N1CCN(C(=O)OCC(C)C)CC1.CC(C)=CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(CCO)CC1.CC(C)=CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(F)CC1.CC(C)=CC(CC(C)(C)c1ccc(F)cc1)N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)=CC(CC(C)(C)c1ccc(S(C)(=O)=O)cc1)N1CCC(c2ccncc2)CC1.

What is the InChIKey of tert-butyl 4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine-1-carboxylate;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine;2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-methylpiperidine;4-[1-[2,6-dimethyl-6-(4-methylsulfonylphenyl)hept-2-en-4-yl]piperidin-4-yl]pyridine;2-methylpropyl 4-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]piperazine-1-carboxylate?

The InChIKey is LXWRKDGAXFQBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2S.C25H40N2O2.C24H37FN2O2.C22H34ClNO.C22H35N.C20H29ClFN/c1-20(2)18-24(28-16-12-22(13-17-28)21-10-14-27-15-11-21)19-26(3,4)23-6-8-25(9-7-23)31(5,29)30;1-19(2)16-23(17-25(6,7)22-10-8-21(5)9-11-22)26-12-14-27(15-13-26)24(28)29-18-20(3)4;1-18(2)16-21(17-24(6,7)19-8-10-20(25)11-9-19)26-12-14-27(15-13-26)22(28)29-23(3,4)5;1-17(2)15-21(24-12-9-18(10-13-24)11-14-25)16-22(3,4)19-5-7-20(23)8-6-19;1-17(2)15-21(23-13-11-19(4)12-14-23)16-22(5,6)20-9-7-18(3)8-10-20;1-15(2)13-19(23-11-9-18(22)10-12-23)14-20(3,4)16-5-7-17(21)8-6-16/h6-11,14-15,18,22,24H,12-13,16-17,19H2,1-5H3;8-11,16,20,23H,12-15,17-18H2,1-7H3;8-11,16,21H,12-15,17H2,1-7H3;5-8,15,18,21,25H,9-14,16H2,1-4H3;7-10,15,19,21H,11-14,16H2,1-6H3;5-8,13,18-19H,9-12,14H2,1-4H3.

What are the key properties of tert-butyl 4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine-1-carboxylate;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine;2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-methylpiperidine;4-[1-[2,6-dimethyl-6-(4-methylsulfonylphenyl)hept-2-en-4-yl]piperidin-4-yl]pyridine;2-methylpropyl 4-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]piperazine-1-carboxylate?

tert-butyl 4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine-1-carboxylate;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine;2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-methylpiperidine;4-[1-[2,6-dimethyl-6-(4-methylsulfonylphenyl)hept-2-en-4-yl]piperidin-4-yl]pyridine;2-methylpropyl 4-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]piperazine-1-carboxylate has a molecular weight of 2261.24 g/mol, XLogP of 33.10, 36 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]piperazine-1-carboxylate;1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-fluoropiperidine;2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol;1-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]-4-methylpiperidine;4-[1-[2,6-dimethyl-6-(4-methylsulfonylphenyl)hept-2-en-4-yl]piperidin-4-yl]pyridine;2-methylpropyl 4-[2,6-dimethyl-6-(4-methylphenyl)hept-2-en-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 159488516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).