1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate

C12H20FNO4 — CID 67487447

IUPAC1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate
SMILESCOC(=O)C1(F)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H20FNO4/c1-11(2,3)18-10(16)14-7-5-12(13,6-8-14)9(15)17-4/h5-8H2,1-4H3
InChIKeyPZANFNHFJJIDEY-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.90
Rot. Bonds1

About 1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate

1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate (PubChem CID 67487447) has the molecular formula C12H20FNO4 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate
PubChem CID67487447
Molecular FormulaC12H20FNO4
Molecular Weight261.29 g/mol
Exact Mass261.14
IUPAC Name1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate
SMILESCOC(=O)C1(F)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H20FNO4/c1-11(2,3)18-10(16)14-7-5-12(13,6-8-14)9(15)17-4/h5-8H2,1-4H3
InChIKeyPZANFNHFJJIDEY-UHFFFAOYSA-N
XLogP1.90
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-O-tert-butyl 3-O-methyl (3R)-3-fluoropyrrolidine-1,3-dicarboxylate
CID 86685754
tert-butyl 4-carbonochloridoyl-4-fluoropiperidine-1-carboxylate
CID 59658463
1-O-tert-butyl 4-O-methyl 4-(methoxymethyl)piperidine-1,4-dicarboxylate
CID 118290173
1-O-tert-butyl 4-O-methyl 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1,4-dicarboxylate
CID 74890385
6-O-tert-butyl 2-O-methyl 2-amino-6-azaspiro[2.5]octane-2,6-dicarboxylate
CID 84715284
1-O-tert-butyl 4-O-methyl 3,3-difluoro-4-methylpiperidine-1,4-dicarboxylate
CID 84815102
6-O-tert-butyl 2-O-methyl 2-fluoro-6-azaspiro[3.5]nonane-2,6-dicarboxylate
CID 177329745
1-O-tert-butyl 4-O-methyl 4-(2-oxopropoxy)piperidine-1,4-dicarboxylate
CID 121306018
tert-butyl 9-(1-fluorocyclopropanecarbonyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 171832484
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 4-carbonofluoridoyl-4-methylpiperidine-1-carboxylate
CID 145108017
1-O-tert-butyl 4-O-methyl 4-(1-methylpiperidin-4-yl)piperidine-1,4-dicarboxylate
CID 175203279

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate (CID 67487447) is 1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate is COC(=O)C1(F)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate?
The InChIKey is PZANFNHFJJIDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO4/c1-11(2,3)18-10(16)14-7-5-12(13,6-8-14)9(15)17-4/h5-8H2,1-4H3.
What are the key properties of 1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate?
1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate has a molecular weight of 261.29 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate is sourced from PubChem (CID 67487447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).