1-(1-benzylpyrazol-3-yl)-4,4-difluoro-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxy-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxypiperidin-3-ol;1-(1-benzylpyrazol-3-yl)-3-phenylmethoxypiperidin-4-one;1-(1-benzylpyrazol-3-yl)piperidin-4-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;ethylbenzene;4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol

C135H152ClF4N21O14 — CID 160676193

About 1-(1-benzylpyrazol-3-yl)-4,4-difluoro-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxy-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxypiperidin-3-ol;1-(1-benzylpyrazol-3-yl)-3-phenylmethoxypiperidin-4-one;1-(1-benzylpyrazol-3-yl)piperidin-4-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;ethylbenzene;4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol

1-(1-benzylpyrazol-3-yl)-4,4-difluoro-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxy-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxypiperidin-3-ol;1-(1-benzylpyrazol-3-yl)-3-phenylmethoxypiperidin-4-one;1-(1-benzylpyrazol-3-yl)piperidin-4-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;ethylbenzene;4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol (PubChem CID 160676193) has the molecular formula C135H152ClF4N21O14 and a molecular weight of 2404.28 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-3-yl)-4,4-difluoro-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxy-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxypiperidin-3-ol;1-(1-benzylpyrazol-3-yl)-3-phenylmethoxypiperidin-4-one;1-(1-benzylpyrazol-3-yl)piperidin-4-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;ethylbenzene;4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol.

Molecular Properties

• Compound Name: 1-(1-benzylpyrazol-3-yl)-4,4-difluoro-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxy-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxypiperidin-3-ol;1-(1-benzylpyrazol-3-yl)-3-phenylmethoxypiperidin-4-one;1-(1-benzylpyrazol-3-yl)piperidin-4-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;ethylbenzene;4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol
• PubChem CID: 160676193
• Molecular Formula: C135H152ClF4N21O14
• Molecular Weight: 2404.28 g/mol
• Exact Mass: 2402.15
• IUPAC Name: 1-(1-benzylpyrazol-3-yl)-4,4-difluoro-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxy-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxypiperidin-3-ol;1-(1-benzylpyrazol-3-yl)-3-phenylmethoxypiperidin-4-one;1-(1-benzylpyrazol-3-yl)piperidin-4-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;ethylbenzene;4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol
• SMILES: CC(C)(C)OC(=O)N1Cc2nc(-c3c(F)cccc3C#N)cc(Cl)c2C1=O.CCc1ccccc1.COC1(OC)CCN(c2ccn(Cc3ccccc3)n2)CC1O.COC1(OC)CCN(c2ccn(Cc3ccccc3)n2)CC1OCc1ccccc1.FC1(F)CCN(c2ccn(Cc3ccccc3)n2)CC1OCc1ccccc1.O=C1CCN(c2ccn(Cc3ccccc3)n2)CC1.O=C1CCN(c2ccn(Cc3ccccc3)n2)CC1OCc1ccccc1.OC1CN(c2ccn[nH]2)CCC1F
• InChI: InChI=1S/C24H29N3O3.C22H23F2N3O.C22H23N3O2.C19H15ClFN3O3.C17H23N3O3.C15H17N3O.C8H12FN3O.C8H10/c1-28-24(29-2)14-16-26(18-22(24)30-19-21-11-7-4-8-12-21)23-13-15-27(25-23)17-20-9-5-3-6-10-20;23-22(24)12-14-26(16-20(22)28-17-19-9-5-2-6-10-19)21-11-13-27(25-21)15-18-7-3-1-4-8-18;26-20-11-13-24(16-21(20)27-17-19-9-5-2-6-10-19)22-12-14-25(23-22)15-18-7-3-1-4-8-18;1-19(2,3)27-18(26)24-9-14-16(17(24)25)11(20)7-13(23-14)15-10(8-22)5-4-6-12(15)21;1-22-17(23-2)9-11-19(13-15(17)21)16-8-10-20(18-16)12-14-6-4-3-5-7-14;19-14-6-9-17(10-7-14)15-8-11-18(16-15)12-13-4-2-1-3-5-13;9-6-2-4-12(5-7(6)13)8-1-3-10-11-8;1-2-8-6-4-3-5-7-8/h3-13,15,22H,14,16-19H2,1-2H3;1-11,13,20H,12,14-17H2;1-10,12,14,21H,11,13,15-17H2;4-7H,9H2,1-3H3;3-8,10,15,21H,9,11-13H2,1-2H3;1-5,8,11H,6-7,9-10,12H2;1,3,6-7,13H,2,4-5H2,(H,10,11);3-7H,2H2,1H3
• InChIKey: RNOGVGDWOAXIIK-UHFFFAOYSA-N
• XLogP: 21.84
• TPSA: 359.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 31
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2404.28
LogP ≤ 5	21.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-3-yl)-4,4-difluoro-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxy-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxypiperidin-3-ol;1-(1-benzylpyrazol-3-yl)-3-phenylmethoxypiperidin-4-one;1-(1-benzylpyrazol-3-yl)piperidin-4-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;ethylbenzene;4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol?

The IUPAC name of 1-(1-benzylpyrazol-3-yl)-4,4-difluoro-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxy-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxypiperidin-3-ol;1-(1-benzylpyrazol-3-yl)-3-phenylmethoxypiperidin-4-one;1-(1-benzylpyrazol-3-yl)piperidin-4-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;ethylbenzene;4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol (CID 160676193) is 1-(1-benzylpyrazol-3-yl)-4,4-difluoro-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxy-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxypiperidin-3-ol;1-(1-benzylpyrazol-3-yl)-3-phenylmethoxypiperidin-4-one;1-(1-benzylpyrazol-3-yl)piperidin-4-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;ethylbenzene;4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol.

What is the SMILES notation for 1-(1-benzylpyrazol-3-yl)-4,4-difluoro-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxy-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxypiperidin-3-ol;1-(1-benzylpyrazol-3-yl)-3-phenylmethoxypiperidin-4-one;1-(1-benzylpyrazol-3-yl)piperidin-4-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;ethylbenzene;4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol?

The canonical SMILES for 1-(1-benzylpyrazol-3-yl)-4,4-difluoro-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxy-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxypiperidin-3-ol;1-(1-benzylpyrazol-3-yl)-3-phenylmethoxypiperidin-4-one;1-(1-benzylpyrazol-3-yl)piperidin-4-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;ethylbenzene;4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol is CC(C)(C)OC(=O)N1Cc2nc(-c3c(F)cccc3C#N)cc(Cl)c2C1=O.CCc1ccccc1.COC1(OC)CCN(c2ccn(Cc3ccccc3)n2)CC1O.COC1(OC)CCN(c2ccn(Cc3ccccc3)n2)CC1OCc1ccccc1.FC1(F)CCN(c2ccn(Cc3ccccc3)n2)CC1OCc1ccccc1.O=C1CCN(c2ccn(Cc3ccccc3)n2)CC1.O=C1CCN(c2ccn(Cc3ccccc3)n2)CC1OCc1ccccc1.OC1CN(c2ccn[nH]2)CCC1F.

What is the InChIKey of 1-(1-benzylpyrazol-3-yl)-4,4-difluoro-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxy-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxypiperidin-3-ol;1-(1-benzylpyrazol-3-yl)-3-phenylmethoxypiperidin-4-one;1-(1-benzylpyrazol-3-yl)piperidin-4-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;ethylbenzene;4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol?

The InChIKey is RNOGVGDWOAXIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3.C22H23F2N3O.C22H23N3O2.C19H15ClFN3O3.C17H23N3O3.C15H17N3O.C8H12FN3O.C8H10/c1-28-24(29-2)14-16-26(18-22(24)30-19-21-11-7-4-8-12-21)23-13-15-27(25-23)17-20-9-5-3-6-10-20;23-22(24)12-14-26(16-20(22)28-17-19-9-5-2-6-10-19)21-11-13-27(25-21)15-18-7-3-1-4-8-18;26-20-11-13-24(16-21(20)27-17-19-9-5-2-6-10-19)22-12-14-25(23-22)15-18-7-3-1-4-8-18;1-19(2,3)27-18(26)24-9-14-16(17(24)25)11(20)7-13(23-14)15-10(8-22)5-4-6-12(15)21;1-22-17(23-2)9-11-19(13-15(17)21)16-8-10-20(18-16)12-14-6-4-3-5-7-14;19-14-6-9-17(10-7-14)15-8-11-18(16-15)12-13-4-2-1-3-5-13;9-6-2-4-12(5-7(6)13)8-1-3-10-11-8;1-2-8-6-4-3-5-7-8/h3-13,15,22H,14,16-19H2,1-2H3;1-11,13,20H,12,14-17H2;1-10,12,14,21H,11,13,15-17H2;4-7H,9H2,1-3H3;3-8,10,15,21H,9,11-13H2,1-2H3;1-5,8,11H,6-7,9-10,12H2;1,3,6-7,13H,2,4-5H2,(H,10,11);3-7H,2H2,1H3.

What are the key properties of 1-(1-benzylpyrazol-3-yl)-4,4-difluoro-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxy-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxypiperidin-3-ol;1-(1-benzylpyrazol-3-yl)-3-phenylmethoxypiperidin-4-one;1-(1-benzylpyrazol-3-yl)piperidin-4-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;ethylbenzene;4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol?

1-(1-benzylpyrazol-3-yl)-4,4-difluoro-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxy-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxypiperidin-3-ol;1-(1-benzylpyrazol-3-yl)-3-phenylmethoxypiperidin-4-one;1-(1-benzylpyrazol-3-yl)piperidin-4-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;ethylbenzene;4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol has a molecular weight of 2404.28 g/mol, XLogP of 21.84, 31 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-benzylpyrazol-3-yl)-4,4-difluoro-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxy-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxypiperidin-3-ol;1-(1-benzylpyrazol-3-yl)-3-phenylmethoxypiperidin-4-one;1-(1-benzylpyrazol-3-yl)piperidin-4-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;ethylbenzene;4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol is sourced from PubChem (CID 160676193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).