tert-butyl 4-[1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate

C23H26FN3O3 — CID 68531008

IUPACtert-butyl 4-[1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2nn(-c3ccccc3F)c3ccccc23)CC1
InChIInChI=1S/C23H26FN3O3/c1-23(2,3)30-22(28)26-14-12-16(13-15-26)29-21-17-8-4-6-10-19(17)27(25-21)20-11-7-5-9-18(20)24/h4-11,16H,12-15H2,1-3H3
InChIKeyNMTWNAZRVKHECI-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.94
Rot. Bonds3

About tert-butyl 4-[1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate

tert-butyl 4-[1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate (PubChem CID 68531008) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is tert-butyl 4-[1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate
PubChem CID68531008
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Nametert-butyl 4-[1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2nn(-c3ccccc3F)c3ccccc23)CC1
InChIInChI=1S/C23H26FN3O3/c1-23(2,3)30-22(28)26-14-12-16(13-15-26)29-21-17-8-4-6-10-19(17)27(25-21)20-11-7-5-9-18(20)24/h4-11,16H,12-15H2,1-3H3
InChIKeyNMTWNAZRVKHECI-UHFFFAOYSA-N
XLogP4.94
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate (CID 68531008) is tert-butyl 4-[1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2nn(-c3ccccc3F)c3ccccc23)CC1.
What is the InChIKey of tert-butyl 4-[1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate?
The InChIKey is NMTWNAZRVKHECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-23(2,3)30-22(28)26-14-12-16(13-15-26)29-21-17-8-4-6-10-19(17)27(25-21)20-11-7-5-9-18(20)24/h4-11,16H,12-15H2,1-3H3.
What are the key properties of tert-butyl 4-[1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate?
tert-butyl 4-[1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate has a molecular weight of 411.48 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 68531008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).