tert-butyl 4-[2-fluoro-6-(furan-2-yl)phenoxy]piperidine-1-carboxylate

C20H24FNO4 — CID 168526981

IUPACtert-butyl 4-[2-fluoro-6-(furan-2-yl)phenoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2c(F)cccc2-c2ccco2)CC1
InChIInChI=1S/C20H24FNO4/c1-20(2,3)26-19(23)22-11-9-14(10-12-22)25-18-15(6-4-7-16(18)21)17-8-5-13-24-17/h4-8,13-14H,9-12H2,1-3H3
InChIKeySUWKNHRBJATCRC-UHFFFAOYSA-N
MW361.41 g/mol
LogP4.86
Rot. Bonds3

About tert-butyl 4-[2-fluoro-6-(furan-2-yl)phenoxy]piperidine-1-carboxylate

tert-butyl 4-[2-fluoro-6-(furan-2-yl)phenoxy]piperidine-1-carboxylate (PubChem CID 168526981) has the molecular formula C20H24FNO4 and a molecular weight of 361.41 g/mol. Its IUPAC name is tert-butyl 4-[2-fluoro-6-(furan-2-yl)phenoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-fluoro-6-(furan-2-yl)phenoxy]piperidine-1-carboxylate
PubChem CID168526981
Molecular FormulaC20H24FNO4
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Nametert-butyl 4-[2-fluoro-6-(furan-2-yl)phenoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2c(F)cccc2-c2ccco2)CC1
InChIInChI=1S/C20H24FNO4/c1-20(2,3)26-19(23)22-11-9-14(10-12-22)25-18-15(6-4-7-16(18)21)17-8-5-13-24-17/h4-8,13-14H,9-12H2,1-3H3
InChIKeySUWKNHRBJATCRC-UHFFFAOYSA-N
XLogP4.86
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2-amino-6-fluorophenoxy)piperidine-1-carboxylate
CID 53255951
tert-butyl 3-[2-fluoro-4-(furan-2-yl)phenoxy]pyrrolidine-1-carboxylate
CID 168526679
tert-butyl 3-(2-fluoro-6-formamidophenoxy)pyrrolidine-1-carboxylate
CID 168653123
2-fluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid
CID 59006330
tert-butyl 4-(3-fluoro-2-nitroanilino)piperidine-1-carboxylate
CID 53255496
tert-butyl 4-(2-fluoro-3-nitrophenoxy)piperidine-1-carboxylate
CID 118429685
tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate
CID 53485826
tert-butyl 4-(2-carbamoyl-6-chlorophenoxy)piperidine-1-carboxylate
CID 141039770
tert-butyl 4-[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]piperidine-1-carboxylate
CID 118300921
tert-butyl 3-[2-fluoro-6-(1,2,2-tricyanoethenylamino)phenoxy]pyrrolidine-1-carboxylate
CID 168608750
tert-butyl 4-[(2-chloro-3-fluorophenyl)methyl]piperidine-1-carboxylate
CID 167313825
tert-butyl 4-(4-chloro-3-fluorophenoxy)piperidine-1-carboxylate
CID 24902450

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-fluoro-6-(furan-2-yl)phenoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-fluoro-6-(furan-2-yl)phenoxy]piperidine-1-carboxylate (CID 168526981) is tert-butyl 4-[2-fluoro-6-(furan-2-yl)phenoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-fluoro-6-(furan-2-yl)phenoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-fluoro-6-(furan-2-yl)phenoxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2c(F)cccc2-c2ccco2)CC1.
What is the InChIKey of tert-butyl 4-[2-fluoro-6-(furan-2-yl)phenoxy]piperidine-1-carboxylate?
The InChIKey is SUWKNHRBJATCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4/c1-20(2,3)26-19(23)22-11-9-14(10-12-22)25-18-15(6-4-7-16(18)21)17-8-5-13-24-17/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of tert-butyl 4-[2-fluoro-6-(furan-2-yl)phenoxy]piperidine-1-carboxylate?
tert-butyl 4-[2-fluoro-6-(furan-2-yl)phenoxy]piperidine-1-carboxylate has a molecular weight of 361.41 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-fluoro-6-(furan-2-yl)phenoxy]piperidine-1-carboxylate is sourced from PubChem (CID 168526981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).