tert-butyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-2-methyl-1-oxopropan-2-yl]piperidine-1-carboxylate

C84H118Cl4N12O12 — CID 158532335

About tert-butyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-2-methyl-1-oxopropan-2-yl]piperidine-1-carboxylate

tert-butyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-2-methyl-1-oxopropan-2-yl]piperidine-1-carboxylate (PubChem CID 158532335) has the molecular formula C84H118Cl4N12O12 and a molecular weight of 1629.75 g/mol. Its IUPAC name is tert-butyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-2-methyl-1-oxopropan-2-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-2-methyl-1-oxopropan-2-yl]piperidine-1-carboxylate
• PubChem CID: 158532335
• Molecular Formula: C84H118Cl4N12O12
• Molecular Weight: 1629.75 g/mol
• Exact Mass: 1626.77
• IUPAC Name: tert-butyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-2-methyl-1-oxopropan-2-yl]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC(C(C)(C)C(=O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C)OC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C)OC(=O)N1CCC(C(C)(C)[C@@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C)OC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1
• InChI: InChI=1S/3C21H30ClN3O3.C21H28ClN3O3/c4*1-20(2,3)28-19(27)25-8-6-14(7-9-25)21(4,5)18(26)16-11-15(22)10-13-12-23-24-17(13)16/h3*10-12,14,18,26H,6-9H2,1-5H3,(H,23,24);10-12,14H,6-9H2,1-5H3,(H,23,24)/t2*18-;;/m10../s1
• InChIKey: HNNFRJBTIBTXOZ-PNEGYFAFSA-N
• XLogP: 19.84
• TPSA: 310.64 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1629.75
LogP ≤ 5	19.84
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-2-methyl-1-oxopropan-2-yl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-2-methyl-1-oxopropan-2-yl]piperidine-1-carboxylate (CID 158532335) is tert-butyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-2-methyl-1-oxopropan-2-yl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-2-methyl-1-oxopropan-2-yl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-2-methyl-1-oxopropan-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(C)(C)C(=O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C)OC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C)OC(=O)N1CCC(C(C)(C)[C@@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C)OC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.

What is the InChIKey of tert-butyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-2-methyl-1-oxopropan-2-yl]piperidine-1-carboxylate?

The InChIKey is HNNFRJBTIBTXOZ-PNEGYFAFSA-N. The full InChI is InChI=1S/3C21H30ClN3O3.C21H28ClN3O3/c4*1-20(2,3)28-19(27)25-8-6-14(7-9-25)21(4,5)18(26)16-11-15(22)10-13-12-23-24-17(13)16/h3*10-12,14,18,26H,6-9H2,1-5H3,(H,23,24);10-12,14H,6-9H2,1-5H3,(H,23,24)/t2*18-;;/m10../s1.

What are the key properties of tert-butyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-2-methyl-1-oxopropan-2-yl]piperidine-1-carboxylate?

tert-butyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-2-methyl-1-oxopropan-2-yl]piperidine-1-carboxylate has a molecular weight of 1629.75 g/mol, XLogP of 19.84, 12 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-2-methyl-1-oxopropan-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 158532335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).