tert-butyl 4-(3-fluoro-5-methoxycarbonylphenyl)piperidine-1-carboxylate

C18H24FNO4 — CID 91123600

IUPACtert-butyl 4-(3-fluoro-5-methoxycarbonylphenyl)piperidine-1-carboxylate
SMILESCOC(=O)c1cc(F)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C18H24FNO4/c1-18(2,3)24-17(22)20-7-5-12(6-8-20)13-9-14(16(21)23-4)11-15(19)10-13/h9-12H,5-8H2,1-4H3
InChIKeyXIJKEOFKIPEPRF-UHFFFAOYSA-N
MW337.39 g/mol
LogP3.73
Rot. Bonds2

About tert-butyl 4-(3-fluoro-5-methoxycarbonylphenyl)piperidine-1-carboxylate

tert-butyl 4-(3-fluoro-5-methoxycarbonylphenyl)piperidine-1-carboxylate (PubChem CID 91123600) has the molecular formula C18H24FNO4 and a molecular weight of 337.39 g/mol. Its IUPAC name is tert-butyl 4-(3-fluoro-5-methoxycarbonylphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-fluoro-5-methoxycarbonylphenyl)piperidine-1-carboxylate
PubChem CID91123600
Molecular FormulaC18H24FNO4
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Nametert-butyl 4-(3-fluoro-5-methoxycarbonylphenyl)piperidine-1-carboxylate
SMILESCOC(=O)c1cc(F)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C18H24FNO4/c1-18(2,3)24-17(22)20-7-5-12(6-8-20)13-9-14(16(21)23-4)11-15(19)10-13/h9-12H,5-8H2,1-4H3
InChIKeyXIJKEOFKIPEPRF-UHFFFAOYSA-N
XLogP3.73
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-fluoro-5-methoxycarbonylphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-fluoro-5-methoxycarbonylphenyl)piperidine-1-carboxylate (CID 91123600) is tert-butyl 4-(3-fluoro-5-methoxycarbonylphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-fluoro-5-methoxycarbonylphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-fluoro-5-methoxycarbonylphenyl)piperidine-1-carboxylate is COC(=O)c1cc(F)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-(3-fluoro-5-methoxycarbonylphenyl)piperidine-1-carboxylate?
The InChIKey is XIJKEOFKIPEPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO4/c1-18(2,3)24-17(22)20-7-5-12(6-8-20)13-9-14(16(21)23-4)11-15(19)10-13/h9-12H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-(3-fluoro-5-methoxycarbonylphenyl)piperidine-1-carboxylate?
tert-butyl 4-(3-fluoro-5-methoxycarbonylphenyl)piperidine-1-carboxylate has a molecular weight of 337.39 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-fluoro-5-methoxycarbonylphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 91123600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).