methyl 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate

C14H16FN3O2 — CID 23048178

IUPACmethyl 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2[nH]nc3cc(F)ccc23)CC1
InChIInChI=1S/C14H16FN3O2/c1-20-14(19)18-6-4-9(5-7-18)13-11-3-2-10(15)8-12(11)16-17-13/h2-3,8-9H,4-7H2,1H3,(H,16,17)
InChIKeyHBFPJOANHQVWII-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.65
Rot. Bonds1

About methyl 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate

methyl 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate (PubChem CID 23048178) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is methyl 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate
PubChem CID23048178
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Namemethyl 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2[nH]nc3cc(F)ccc23)CC1
InChIInChI=1S/C14H16FN3O2/c1-20-14(19)18-6-4-9(5-7-18)13-11-3-2-10(15)8-12(11)16-17-13/h2-3,8-9H,4-7H2,1H3,(H,16,17)
InChIKeyHBFPJOANHQVWII-UHFFFAOYSA-N
XLogP2.65
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate (CID 23048178) is methyl 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate is COC(=O)N1CCC(c2[nH]nc3cc(F)ccc23)CC1.
What is the InChIKey of methyl 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate?
The InChIKey is HBFPJOANHQVWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-20-14(19)18-6-4-9(5-7-18)13-11-3-2-10(15)8-12(11)16-17-13/h2-3,8-9H,4-7H2,1H3,(H,16,17).
What are the key properties of methyl 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate?
methyl 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate has a molecular weight of 277.30 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 23048178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).