1-(2-bicyclo[2.2.1]heptanyl)-4-(2-ethylphenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(5-fluoro-2-methoxyphenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methoxyphenyl)piperazine;2-[4-(5-chloro-2-methoxyphenyl)cyclohexyl]tricyclo[5.2.2.03,5]undecane;8-(2-methoxyphenyl)-5-methyl-4-oxa-2,8,11-triazatetracyclo[11.4.1.02,15.05,11]octadecan-3-one

C102H143ClFN9O6 — CID 158757064

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4-(2-ethylphenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(5-fluoro-2-methoxyphenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methoxyphenyl)piperazine;2-[4-(5-chloro-2-methoxyphenyl)cyclohexyl]tricyclo[5.2.2.03,5]undecane;8-(2-methoxyphenyl)-5-methyl-4-oxa-2,8,11-triazatetracyclo[11.4.1.02,15.05,11]octadecan-3-one
SMILESCCc1ccccc1N1CCN(C2CC3CCC2C3)CC1.COc1ccc(Cl)cc1C1CCC(C2C3CCC(CC3)CC3CC32)CC1.COc1ccc(F)cc1N1CCN(C2CC3CCC2C3)CC1.COc1ccccc1N1CCN(CC2CC3C=CC2C3)CC1.COc1ccccc1N1CCN2CC3CC4CCC(C3)N4C(=O)OC2(C)CC1
InChIInChI=1S/C24H33ClO.C22H31N3O3.C19H26N2O.C19H28N2.C18H25FN2O/c1-26-23-11-10-20(25)14-21(23)16-6-8-18(9-7-16)24-17-4-2-15(3-5-17)12-19-13-22(19)24;1-22-9-10-23(19-5-3-4-6-20(19)27-2)11-12-24(22)15-16-13-17-7-8-18(14-16)25(17)21(26)28-22;1-22-19-5-3-2-4-18(19)21-10-8-20(9-11-21)14-17-13-15-6-7-16(17)12-15;1-2-16-5-3-4-6-18(16)20-9-11-21(12-10-20)19-14-15-7-8-17(19)13-15;1-22-18-5-4-15(19)12-17(18)21-8-6-20(7-9-21)16-11-13-2-3-14(16)10-13/h10-11,14-19,22,24H,2-9,12-13H2,1H3;3-6,16-18H,7-15H2,1-2H3;2-7,15-17H,8-14H2,1H3;3-6,15,17,19H,2,7-14H2,1H3;4-5,12-14,16H,2-3,6-11H2,1H3
InChIKeyIOEXVSLMGIJMOG-UHFFFAOYSA-N
MW1645.77 g/mol
LogP20.14
Rot. Bonds15

About 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-ethylphenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(5-fluoro-2-methoxyphenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methoxyphenyl)piperazine;2-[4-(5-chloro-2-methoxyphenyl)cyclohexyl]tricyclo[5.2.2.03,5]undecane;8-(2-methoxyphenyl)-5-methyl-4-oxa-2,8,11-triazatetracyclo[11.4.1.02,15.05,11]octadecan-3-one

1-(2-bicyclo[2.2.1]heptanyl)-4-(2-ethylphenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(5-fluoro-2-methoxyphenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methoxyphenyl)piperazine;2-[4-(5-chloro-2-methoxyphenyl)cyclohexyl]tricyclo[5.2.2.03,5]undecane;8-(2-methoxyphenyl)-5-methyl-4-oxa-2,8,11-triazatetracyclo[11.4.1.02,15.05,11]octadecan-3-one (PubChem CID 158757064) has the molecular formula C102H143ClFN9O6 and a molecular weight of 1645.77 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-ethylphenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(5-fluoro-2-methoxyphenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methoxyphenyl)piperazine;2-[4-(5-chloro-2-methoxyphenyl)cyclohexyl]tricyclo[5.2.2.03,5]undecane;8-(2-methoxyphenyl)-5-methyl-4-oxa-2,8,11-triazatetracyclo[11.4.1.02,15.05,11]octadecan-3-one.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4-(2-ethylphenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(5-fluoro-2-methoxyphenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methoxyphenyl)piperazine;2-[4-(5-chloro-2-methoxyphenyl)cyclohexyl]tricyclo[5.2.2.03,5]undecane;8-(2-methoxyphenyl)-5-methyl-4-oxa-2,8,11-triazatetracyclo[11.4.1.02,15.05,11]octadecan-3-one
PubChem CID158757064
Molecular FormulaC102H143ClFN9O6
Molecular Weight1645.77 g/mol
Exact Mass1644.08
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4-(2-ethylphenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(5-fluoro-2-methoxyphenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methoxyphenyl)piperazine;2-[4-(5-chloro-2-methoxyphenyl)cyclohexyl]tricyclo[5.2.2.03,5]undecane;8-(2-methoxyphenyl)-5-methyl-4-oxa-2,8,11-triazatetracyclo[11.4.1.02,15.05,11]octadecan-3-one
SMILESCCc1ccccc1N1CCN(C2CC3CCC2C3)CC1.COc1ccc(Cl)cc1C1CCC(C2C3CCC(CC3)CC3CC32)CC1.COc1ccc(F)cc1N1CCN(C2CC3CCC2C3)CC1.COc1ccccc1N1CCN(CC2CC3C=CC2C3)CC1.COc1ccccc1N1CCN2CC3CC4CCC(C3)N4C(=O)OC2(C)CC1
InChIInChI=1S/C24H33ClO.C22H31N3O3.C19H26N2O.C19H28N2.C18H25FN2O/c1-26-23-11-10-20(25)14-21(23)16-6-8-18(9-7-16)24-17-4-2-15(3-5-17)12-19-13-22(19)24;1-22-9-10-23(19-5-3-4-6-20(19)27-2)11-12-24(22)15-16-13-17-7-8-18(14-16)25(17)21(26)28-22;1-22-19-5-3-2-4-18(19)21-10-8-20(9-11-21)14-17-13-15-6-7-16(17)12-15;1-2-16-5-3-4-6-18(16)20-9-11-21(12-10-20)19-14-15-7-8-17(19)13-15;1-22-18-5-4-15(19)12-17(18)21-8-6-20(7-9-21)16-11-13-2-3-14(16)10-13/h10-11,14-19,22,24H,2-9,12-13H2,1H3;3-6,16-18H,7-15H2,1-2H3;2-7,15-17H,8-14H2,1H3;3-6,15,17,19H,2,7-14H2,1H3;4-5,12-14,16H,2-3,6-11H2,1H3
InChIKeyIOEXVSLMGIJMOG-UHFFFAOYSA-N
XLogP20.14
TPSA92.38 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001645.77
LogP ≤ 520.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-ethylphenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(5-fluoro-2-methoxyphenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methoxyphenyl)piperazine;2-[4-(5-chloro-2-methoxyphenyl)cyclohexyl]tricyclo[5.2.2.03,5]undecane;8-(2-methoxyphenyl)-5-methyl-4-oxa-2,8,11-triazatetracyclo[11.4.1.02,15.05,11]octadecan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-ethylphenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(5-fluoro-2-methoxyphenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methoxyphenyl)piperazine;2-[4-(5-chloro-2-methoxyphenyl)cyclohexyl]tricyclo[5.2.2.03,5]undecane;8-(2-methoxyphenyl)-5-methyl-4-oxa-2,8,11-triazatetracyclo[11.4.1.02,15.05,11]octadecan-3-one?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-ethylphenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(5-fluoro-2-methoxyphenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methoxyphenyl)piperazine;2-[4-(5-chloro-2-methoxyphenyl)cyclohexyl]tricyclo[5.2.2.03,5]undecane;8-(2-methoxyphenyl)-5-methyl-4-oxa-2,8,11-triazatetracyclo[11.4.1.02,15.05,11]octadecan-3-one (CID 158757064) is 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-ethylphenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(5-fluoro-2-methoxyphenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methoxyphenyl)piperazine;2-[4-(5-chloro-2-methoxyphenyl)cyclohexyl]tricyclo[5.2.2.03,5]undecane;8-(2-methoxyphenyl)-5-methyl-4-oxa-2,8,11-triazatetracyclo[11.4.1.02,15.05,11]octadecan-3-one.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-ethylphenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(5-fluoro-2-methoxyphenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methoxyphenyl)piperazine;2-[4-(5-chloro-2-methoxyphenyl)cyclohexyl]tricyclo[5.2.2.03,5]undecane;8-(2-methoxyphenyl)-5-methyl-4-oxa-2,8,11-triazatetracyclo[11.4.1.02,15.05,11]octadecan-3-one?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-ethylphenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(5-fluoro-2-methoxyphenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methoxyphenyl)piperazine;2-[4-(5-chloro-2-methoxyphenyl)cyclohexyl]tricyclo[5.2.2.03,5]undecane;8-(2-methoxyphenyl)-5-methyl-4-oxa-2,8,11-triazatetracyclo[11.4.1.02,15.05,11]octadecan-3-one is CCc1ccccc1N1CCN(C2CC3CCC2C3)CC1.COc1ccc(Cl)cc1C1CCC(C2C3CCC(CC3)CC3CC32)CC1.COc1ccc(F)cc1N1CCN(C2CC3CCC2C3)CC1.COc1ccccc1N1CCN(CC2CC3C=CC2C3)CC1.COc1ccccc1N1CCN2CC3CC4CCC(C3)N4C(=O)OC2(C)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-ethylphenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(5-fluoro-2-methoxyphenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methoxyphenyl)piperazine;2-[4-(5-chloro-2-methoxyphenyl)cyclohexyl]tricyclo[5.2.2.03,5]undecane;8-(2-methoxyphenyl)-5-methyl-4-oxa-2,8,11-triazatetracyclo[11.4.1.02,15.05,11]octadecan-3-one?
The InChIKey is IOEXVSLMGIJMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClO.C22H31N3O3.C19H26N2O.C19H28N2.C18H25FN2O/c1-26-23-11-10-20(25)14-21(23)16-6-8-18(9-7-16)24-17-4-2-15(3-5-17)12-19-13-22(19)24;1-22-9-10-23(19-5-3-4-6-20(19)27-2)11-12-24(22)15-16-13-17-7-8-18(14-16)25(17)21(26)28-22;1-22-19-5-3-2-4-18(19)21-10-8-20(9-11-21)14-17-13-15-6-7-16(17)12-15;1-2-16-5-3-4-6-18(16)20-9-11-21(12-10-20)19-14-15-7-8-17(19)13-15;1-22-18-5-4-15(19)12-17(18)21-8-6-20(7-9-21)16-11-13-2-3-14(16)10-13/h10-11,14-19,22,24H,2-9,12-13H2,1H3;3-6,16-18H,7-15H2,1-2H3;2-7,15-17H,8-14H2,1H3;3-6,15,17,19H,2,7-14H2,1H3;4-5,12-14,16H,2-3,6-11H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-ethylphenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(5-fluoro-2-methoxyphenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methoxyphenyl)piperazine;2-[4-(5-chloro-2-methoxyphenyl)cyclohexyl]tricyclo[5.2.2.03,5]undecane;8-(2-methoxyphenyl)-5-methyl-4-oxa-2,8,11-triazatetracyclo[11.4.1.02,15.05,11]octadecan-3-one?
1-(2-bicyclo[2.2.1]heptanyl)-4-(2-ethylphenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(5-fluoro-2-methoxyphenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methoxyphenyl)piperazine;2-[4-(5-chloro-2-methoxyphenyl)cyclohexyl]tricyclo[5.2.2.03,5]undecane;8-(2-methoxyphenyl)-5-methyl-4-oxa-2,8,11-triazatetracyclo[11.4.1.02,15.05,11]octadecan-3-one has a molecular weight of 1645.77 g/mol, XLogP of 20.14, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-ethylphenyl)piperazine;1-(2-bicyclo[2.2.1]heptanyl)-4-(5-fluoro-2-methoxyphenyl)piperazine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methoxyphenyl)piperazine;2-[4-(5-chloro-2-methoxyphenyl)cyclohexyl]tricyclo[5.2.2.03,5]undecane;8-(2-methoxyphenyl)-5-methyl-4-oxa-2,8,11-triazatetracyclo[11.4.1.02,15.05,11]octadecan-3-one is sourced from PubChem (CID 158757064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).