tert-butyl 3-fluoro-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate

C18H24FN3O2 — CID 135273409

IUPACtert-butyl 3-fluoro-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate
SMILESCc1cc2cn[nH]c2cc1C1CCN(C(=O)OC(C)(C)C)CC1F
InChIInChI=1S/C18H24FN3O2/c1-11-7-12-9-20-21-16(12)8-14(11)13-5-6-22(10-15(13)19)17(23)24-18(2,3)4/h7-9,13,15H,5-6,10H2,1-4H3,(H,20,21)
InChIKeyDMWKLKZINOVPNN-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.93
Rot. Bonds1

About tert-butyl 3-fluoro-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate

tert-butyl 3-fluoro-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate (PubChem CID 135273409) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is tert-butyl 3-fluoro-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-fluoro-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate
PubChem CID135273409
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Nametert-butyl 3-fluoro-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate
SMILESCc1cc2cn[nH]c2cc1C1CCN(C(=O)OC(C)(C)C)CC1F
InChIInChI=1S/C18H24FN3O2/c1-11-7-12-9-20-21-16(12)8-14(11)13-5-6-22(10-15(13)19)17(23)24-18(2,3)4/h7-9,13,15H,5-6,10H2,1-4H3,(H,20,21)
InChIKeyDMWKLKZINOVPNN-UHFFFAOYSA-N
XLogP3.93
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-fluoro-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-fluoro-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate (CID 135273409) is tert-butyl 3-fluoro-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-fluoro-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-fluoro-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate is Cc1cc2cn[nH]c2cc1C1CCN(C(=O)OC(C)(C)C)CC1F.
What is the InChIKey of tert-butyl 3-fluoro-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate?
The InChIKey is DMWKLKZINOVPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-11-7-12-9-20-21-16(12)8-14(11)13-5-6-22(10-15(13)19)17(23)24-18(2,3)4/h7-9,13,15H,5-6,10H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl 3-fluoro-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate?
tert-butyl 3-fluoro-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate has a molecular weight of 333.41 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-fluoro-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate is sourced from PubChem (CID 135273409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).