tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)piperidine-1-carboxylate

C15H26FNO4 — CID 174447626

IUPACtert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)piperidine-1-carboxylate
SMILESCCOC(=O)C(F)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26FNO4/c1-5-20-13(18)12(16)10-11-6-8-17(9-7-11)14(19)21-15(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyXKFXZYWVCMGVPO-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.92
Rot. Bonds4

About tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)piperidine-1-carboxylate

tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)piperidine-1-carboxylate (PubChem CID 174447626) has the molecular formula C15H26FNO4 and a molecular weight of 303.37 g/mol. Its IUPAC name is tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)piperidine-1-carboxylate
PubChem CID174447626
Molecular FormulaC15H26FNO4
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Nametert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)piperidine-1-carboxylate
SMILESCCOC(=O)C(F)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26FNO4/c1-5-20-13(18)12(16)10-11-6-8-17(9-7-11)14(19)21-15(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyXKFXZYWVCMGVPO-UHFFFAOYSA-N
XLogP2.92
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.92
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-ethoxy-2-fluoro-3-oxopropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)piperidine-1-carboxylate (CID 174447626) is tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)piperidine-1-carboxylate is CCOC(=O)C(F)CC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)piperidine-1-carboxylate?
The InChIKey is XKFXZYWVCMGVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FNO4/c1-5-20-13(18)12(16)10-11-6-8-17(9-7-11)14(19)21-15(2,3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)piperidine-1-carboxylate?
tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)piperidine-1-carboxylate has a molecular weight of 303.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-ethoxy-2-fluoro-3-oxopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 174447626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).