1-O-tert-butyl 4-O-ethyl 3-fluoro-4-methylpiperidine-1,4-dicarboxylate

C14H24FNO4 — CID 129320030

IUPAC1-O-tert-butyl 4-O-ethyl 3-fluoro-4-methylpiperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1F
InChIInChI=1S/C14H24FNO4/c1-6-19-11(17)14(5)7-8-16(9-10(14)15)12(18)20-13(2,3)4/h10H,6-9H2,1-5H3
InChIKeyDITQMOAOUPYMFX-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.53
Rot. Bonds2

About 1-O-tert-butyl 4-O-ethyl 3-fluoro-4-methylpiperidine-1,4-dicarboxylate

1-O-tert-butyl 4-O-ethyl 3-fluoro-4-methylpiperidine-1,4-dicarboxylate (PubChem CID 129320030) has the molecular formula C14H24FNO4 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-ethyl 3-fluoro-4-methylpiperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-ethyl 3-fluoro-4-methylpiperidine-1,4-dicarboxylate
PubChem CID129320030
Molecular FormulaC14H24FNO4
Molecular Weight289.35 g/mol
Exact Mass289.17
IUPAC Name1-O-tert-butyl 4-O-ethyl 3-fluoro-4-methylpiperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1F
InChIInChI=1S/C14H24FNO4/c1-6-19-11(17)14(5)7-8-16(9-10(14)15)12(18)20-13(2,3)4/h10H,6-9H2,1-5H3
InChIKeyDITQMOAOUPYMFX-UHFFFAOYSA-N
XLogP2.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-ethyl 3-fluoro-4-methylpiperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 4-O-ethyl 3-fluoro-4-methylpiperidine-1,4-dicarboxylate (CID 129320030) is 1-O-tert-butyl 4-O-ethyl 3-fluoro-4-methylpiperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 4-O-ethyl 3-fluoro-4-methylpiperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 4-O-ethyl 3-fluoro-4-methylpiperidine-1,4-dicarboxylate is CCOC(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1F.
What is the InChIKey of 1-O-tert-butyl 4-O-ethyl 3-fluoro-4-methylpiperidine-1,4-dicarboxylate?
The InChIKey is DITQMOAOUPYMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO4/c1-6-19-11(17)14(5)7-8-16(9-10(14)15)12(18)20-13(2,3)4/h10H,6-9H2,1-5H3.
What are the key properties of 1-O-tert-butyl 4-O-ethyl 3-fluoro-4-methylpiperidine-1,4-dicarboxylate?
1-O-tert-butyl 4-O-ethyl 3-fluoro-4-methylpiperidine-1,4-dicarboxylate has a molecular weight of 289.35 g/mol, XLogP of 2.53, 2 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-ethyl 3-fluoro-4-methylpiperidine-1,4-dicarboxylate is sourced from PubChem (CID 129320030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).