1-O-tert-butyl 4-O-ethyl 4-(fluoromethyl)piperidine-1,4-dicarboxylate

C14H24FNO4 — CID 135382752

IUPAC1-O-tert-butyl 4-O-ethyl 4-(fluoromethyl)piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1(CF)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H24FNO4/c1-5-19-11(17)14(10-15)6-8-16(9-7-14)12(18)20-13(2,3)4/h5-10H2,1-4H3
InChIKeyKYHCQYXQZXPKFR-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.54
Rot. Bonds3

About 1-O-tert-butyl 4-O-ethyl 4-(fluoromethyl)piperidine-1,4-dicarboxylate

1-O-tert-butyl 4-O-ethyl 4-(fluoromethyl)piperidine-1,4-dicarboxylate (PubChem CID 135382752) 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 4-(fluoromethyl)piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-ethyl 4-(fluoromethyl)piperidine-1,4-dicarboxylate
PubChem CID135382752
Molecular FormulaC14H24FNO4
Molecular Weight289.35 g/mol
Exact Mass289.17
IUPAC Name1-O-tert-butyl 4-O-ethyl 4-(fluoromethyl)piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1(CF)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H24FNO4/c1-5-19-11(17)14(10-15)6-8-16(9-7-14)12(18)20-13(2,3)4/h5-10H2,1-4H3
InChIKeyKYHCQYXQZXPKFR-UHFFFAOYSA-N
XLogP2.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.54
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 4-(fluoromethyl)piperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 4-O-ethyl 4-(fluoromethyl)piperidine-1,4-dicarboxylate (CID 135382752) is 1-O-tert-butyl 4-O-ethyl 4-(fluoromethyl)piperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 4-O-ethyl 4-(fluoromethyl)piperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 4-O-ethyl 4-(fluoromethyl)piperidine-1,4-dicarboxylate is CCOC(=O)C1(CF)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 1-O-tert-butyl 4-O-ethyl 4-(fluoromethyl)piperidine-1,4-dicarboxylate?
The InChIKey is KYHCQYXQZXPKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO4/c1-5-19-11(17)14(10-15)6-8-16(9-7-14)12(18)20-13(2,3)4/h5-10H2,1-4H3.
What are the key properties of 1-O-tert-butyl 4-O-ethyl 4-(fluoromethyl)piperidine-1,4-dicarboxylate?
1-O-tert-butyl 4-O-ethyl 4-(fluoromethyl)piperidine-1,4-dicarboxylate has a molecular weight of 289.35 g/mol, XLogP of 2.54, 3 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 4-(fluoromethyl)piperidine-1,4-dicarboxylate is sourced from PubChem (CID 135382752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).