tert-butyl 4-[4-(2-hydroxyethyl)piperidin-1-yl]benzoate;4-[4-[2-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;3-(1,3-dioxo-5-piperazin-1-ylinden-2-yl)piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(4-methylphenyl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;1-fluoro-4-methylbenzene;3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutan-1-amine;2-[1-(4-methylphenyl)piperidin-4-yl]acetaldehyde;2-piperidin-4-ylethanol

C163H200FN21O20 — CID 161213403

About tert-butyl 4-[4-(2-hydroxyethyl)piperidin-1-yl]benzoate;4-[4-[2-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;3-(1,3-dioxo-5-piperazin-1-ylinden-2-yl)piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(4-methylphenyl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;1-fluoro-4-methylbenzene;3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutan-1-amine;2-[1-(4-methylphenyl)piperidin-4-yl]acetaldehyde;2-piperidin-4-ylethanol

tert-butyl 4-[4-(2-hydroxyethyl)piperidin-1-yl]benzoate;4-[4-[2-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;3-(1,3-dioxo-5-piperazin-1-ylinden-2-yl)piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(4-methylphenyl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;1-fluoro-4-methylbenzene;3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutan-1-amine;2-[1-(4-methylphenyl)piperidin-4-yl]acetaldehyde;2-piperidin-4-ylethanol (PubChem CID 161213403) has the molecular formula C163H200FN21O20 and a molecular weight of 2792.52 g/mol. Its IUPAC name is tert-butyl 4-[4-(2-hydroxyethyl)piperidin-1-yl]benzoate;4-[4-[2-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;3-(1,3-dioxo-5-piperazin-1-ylinden-2-yl)piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(4-methylphenyl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;1-fluoro-4-methylbenzene;3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutan-1-amine;2-[1-(4-methylphenyl)piperidin-4-yl]acetaldehyde;2-piperidin-4-ylethanol.

Molecular Properties

• Compound Name: tert-butyl 4-[4-(2-hydroxyethyl)piperidin-1-yl]benzoate;4-[4-[2-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;3-(1,3-dioxo-5-piperazin-1-ylinden-2-yl)piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(4-methylphenyl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;1-fluoro-4-methylbenzene;3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutan-1-amine;2-[1-(4-methylphenyl)piperidin-4-yl]acetaldehyde;2-piperidin-4-ylethanol
• PubChem CID: 161213403
• Molecular Formula: C163H200FN21O20
• Molecular Weight: 2792.52 g/mol
• Exact Mass: 2790.53
• IUPAC Name: tert-butyl 4-[4-(2-hydroxyethyl)piperidin-1-yl]benzoate;4-[4-[2-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;3-(1,3-dioxo-5-piperazin-1-ylinden-2-yl)piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(4-methylphenyl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;1-fluoro-4-methylbenzene;3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutan-1-amine;2-[1-(4-methylphenyl)piperidin-4-yl]acetaldehyde;2-piperidin-4-ylethanol
• SMILES: CC(C)(C)OC(=O)c1ccc(N2CCC(CCO)CC2)cc1.Cc1ccc(F)cc1.Cc1ccc(N2CCC(CC=O)CC2)cc1.Cc1ccc(N2CCC(CCN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)cc1.O=C1CCC(C2C(=O)c3ccc(N4CCNCC4)cc3C2=O)C(=O)N1.OCCC1CCNCC1.[C-]#[N+]c1ccc(OC2C(C)(C)C(N)C2(C)C)c2cccnc12.[C-]#[N+]c1ccc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(CCN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)CC6=O)C7=O)CC5)CC4)cc3)C2(C)C)c2cccnc12
• InChI: InChI=1S/C50H55N7O6.C31H37N5O4.C18H19N3O4.C18H21N3O.C18H27NO3.C14H19NO.C7H7F.C7H15NO/c1-49(2)47(50(3,4)48(49)63-42-17-15-39(51-5)43-37(42)7-6-21-52-43)53-44(60)32-8-10-33(11-9-32)55-23-19-31(20-24-55)18-22-54-25-27-56(28-26-54)34-12-14-36-38(29-34)46(62)57(45(36)61)40-16-13-35(58)30-41(40)59;1-21-2-4-23(5-3-21)34-14-11-22(12-15-34)10-13-33-16-18-35(19-17-33)24-6-7-25-26(20-24)31(40)36(30(25)39)27-8-9-28(37)32-29(27)38;22-14-4-3-12(18(25)20-14)15-16(23)11-2-1-10(9-13(11)17(15)24)21-7-5-19-6-8-21;1-17(2)15(19)18(3,4)16(17)22-13-9-8-12(20-5)14-11(13)7-6-10-21-14;1-18(2,3)22-17(21)15-4-6-16(7-5-15)19-11-8-14(9-12-19)10-13-20;1-12-2-4-14(5-3-12)15-9-6-13(7-10-15)8-11-16;1-6-2-4-7(8)5-3-6;9-6-3-7-1-4-8-5-2-7/h6-12,14-15,17,21,29,31,40,47-48H,13,16,18-20,22-28,30H2,1-4H3,(H,53,60);2-7,20,22,27H,8-19H2,1H3,(H,32,37,38);1-2,9,12,15,19H,3-8H2,(H,20,22,25);6-10,15-16H,19H2,1-4H3;4-7,14,20H,8-13H2,1-3H3;2-5,11,13H,6-10H2,1H3;2-5H,1H3;7-9H,1-6H2
• InChIKey: UWNPXMUJCAWSGD-UHFFFAOYSA-N
• XLogP: 22.55
• TPSA: 480.51 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 29
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2792.52
LogP ≤ 5	22.55
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(2-hydroxyethyl)piperidin-1-yl]benzoate;4-[4-[2-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;3-(1,3-dioxo-5-piperazin-1-ylinden-2-yl)piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(4-methylphenyl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;1-fluoro-4-methylbenzene;3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutan-1-amine;2-[1-(4-methylphenyl)piperidin-4-yl]acetaldehyde;2-piperidin-4-ylethanol?

The IUPAC name of tert-butyl 4-[4-(2-hydroxyethyl)piperidin-1-yl]benzoate;4-[4-[2-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;3-(1,3-dioxo-5-piperazin-1-ylinden-2-yl)piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(4-methylphenyl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;1-fluoro-4-methylbenzene;3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutan-1-amine;2-[1-(4-methylphenyl)piperidin-4-yl]acetaldehyde;2-piperidin-4-ylethanol (CID 161213403) is tert-butyl 4-[4-(2-hydroxyethyl)piperidin-1-yl]benzoate;4-[4-[2-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;3-(1,3-dioxo-5-piperazin-1-ylinden-2-yl)piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(4-methylphenyl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;1-fluoro-4-methylbenzene;3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutan-1-amine;2-[1-(4-methylphenyl)piperidin-4-yl]acetaldehyde;2-piperidin-4-ylethanol.

What is the SMILES notation for tert-butyl 4-[4-(2-hydroxyethyl)piperidin-1-yl]benzoate;4-[4-[2-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;3-(1,3-dioxo-5-piperazin-1-ylinden-2-yl)piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(4-methylphenyl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;1-fluoro-4-methylbenzene;3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutan-1-amine;2-[1-(4-methylphenyl)piperidin-4-yl]acetaldehyde;2-piperidin-4-ylethanol?

The canonical SMILES for tert-butyl 4-[4-(2-hydroxyethyl)piperidin-1-yl]benzoate;4-[4-[2-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;3-(1,3-dioxo-5-piperazin-1-ylinden-2-yl)piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(4-methylphenyl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;1-fluoro-4-methylbenzene;3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutan-1-amine;2-[1-(4-methylphenyl)piperidin-4-yl]acetaldehyde;2-piperidin-4-ylethanol is CC(C)(C)OC(=O)c1ccc(N2CCC(CCO)CC2)cc1.Cc1ccc(F)cc1.Cc1ccc(N2CCC(CC=O)CC2)cc1.Cc1ccc(N2CCC(CCN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)cc1.O=C1CCC(C2C(=O)c3ccc(N4CCNCC4)cc3C2=O)C(=O)N1.OCCC1CCNCC1.[C-]#[N+]c1ccc(OC2C(C)(C)C(N)C2(C)C)c2cccnc12.[C-]#[N+]c1ccc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(CCN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)CC6=O)C7=O)CC5)CC4)cc3)C2(C)C)c2cccnc12.

What is the InChIKey of tert-butyl 4-[4-(2-hydroxyethyl)piperidin-1-yl]benzoate;4-[4-[2-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;3-(1,3-dioxo-5-piperazin-1-ylinden-2-yl)piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(4-methylphenyl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;1-fluoro-4-methylbenzene;3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutan-1-amine;2-[1-(4-methylphenyl)piperidin-4-yl]acetaldehyde;2-piperidin-4-ylethanol?

The InChIKey is UWNPXMUJCAWSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H55N7O6.C31H37N5O4.C18H19N3O4.C18H21N3O.C18H27NO3.C14H19NO.C7H7F.C7H15NO/c1-49(2)47(50(3,4)48(49)63-42-17-15-39(51-5)43-37(42)7-6-21-52-43)53-44(60)32-8-10-33(11-9-32)55-23-19-31(20-24-55)18-22-54-25-27-56(28-26-54)34-12-14-36-38(29-34)46(62)57(45(36)61)40-16-13-35(58)30-41(40)59;1-21-2-4-23(5-3-21)34-14-11-22(12-15-34)10-13-33-16-18-35(19-17-33)24-6-7-25-26(20-24)31(40)36(30(25)39)27-8-9-28(37)32-29(27)38;22-14-4-3-12(18(25)20-14)15-16(23)11-2-1-10(9-13(11)17(15)24)21-7-5-19-6-8-21;1-17(2)15(19)18(3,4)16(17)22-13-9-8-12(20-5)14-11(13)7-6-10-21-14;1-18(2,3)22-17(21)15-4-6-16(7-5-15)19-11-8-14(9-12-19)10-13-20;1-12-2-4-14(5-3-12)15-9-6-13(7-10-15)8-11-16;1-6-2-4-7(8)5-3-6;9-6-3-7-1-4-8-5-2-7/h6-12,14-15,17,21,29,31,40,47-48H,13,16,18-20,22-28,30H2,1-4H3,(H,53,60);2-7,20,22,27H,8-19H2,1H3,(H,32,37,38);1-2,9,12,15,19H,3-8H2,(H,20,22,25);6-10,15-16H,19H2,1-4H3;4-7,14,20H,8-13H2,1-3H3;2-5,11,13H,6-10H2,1H3;2-5H,1H3;7-9H,1-6H2.

What are the key properties of tert-butyl 4-[4-(2-hydroxyethyl)piperidin-1-yl]benzoate;4-[4-[2-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;3-(1,3-dioxo-5-piperazin-1-ylinden-2-yl)piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(4-methylphenyl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;1-fluoro-4-methylbenzene;3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutan-1-amine;2-[1-(4-methylphenyl)piperidin-4-yl]acetaldehyde;2-piperidin-4-ylethanol?

tert-butyl 4-[4-(2-hydroxyethyl)piperidin-1-yl]benzoate;4-[4-[2-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;3-(1,3-dioxo-5-piperazin-1-ylinden-2-yl)piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(4-methylphenyl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;1-fluoro-4-methylbenzene;3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutan-1-amine;2-[1-(4-methylphenyl)piperidin-4-yl]acetaldehyde;2-piperidin-4-ylethanol has a molecular weight of 2792.52 g/mol, XLogP of 22.55, 29 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-(2-hydroxyethyl)piperidin-1-yl]benzoate;4-[4-[2-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;3-(1,3-dioxo-5-piperazin-1-ylinden-2-yl)piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-(4-methylphenyl)piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;1-fluoro-4-methylbenzene;3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutan-1-amine;2-[1-(4-methylphenyl)piperidin-4-yl]acetaldehyde;2-piperidin-4-ylethanol is sourced from PubChem (CID 161213403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).