tert-butyl 4-(3-ethoxy-2,2-difluoro-1-hydroxy-3-oxopropyl)piperidine-1-carboxylate

C15H25F2NO5 — CID 21180610

IUPACtert-butyl 4-(3-ethoxy-2,2-difluoro-1-hydroxy-3-oxopropyl)piperidine-1-carboxylate
SMILESCCOC(=O)C(F)(F)C(O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25F2NO5/c1-5-22-12(20)15(16,17)11(19)10-6-8-18(9-7-10)13(21)23-14(2,3)4/h10-11,19H,5-9H2,1-4H3
InChIKeyNSKLGLJUJSTORA-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.19
Rot. Bonds4

About tert-butyl 4-(3-ethoxy-2,2-difluoro-1-hydroxy-3-oxopropyl)piperidine-1-carboxylate

tert-butyl 4-(3-ethoxy-2,2-difluoro-1-hydroxy-3-oxopropyl)piperidine-1-carboxylate (PubChem CID 21180610) has the molecular formula C15H25F2NO5 and a molecular weight of 337.36 g/mol. Its IUPAC name is tert-butyl 4-(3-ethoxy-2,2-difluoro-1-hydroxy-3-oxopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-ethoxy-2,2-difluoro-1-hydroxy-3-oxopropyl)piperidine-1-carboxylate
PubChem CID21180610
Molecular FormulaC15H25F2NO5
Molecular Weight337.36 g/mol
Exact Mass337.17
IUPAC Nametert-butyl 4-(3-ethoxy-2,2-difluoro-1-hydroxy-3-oxopropyl)piperidine-1-carboxylate
SMILESCCOC(=O)C(F)(F)C(O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25F2NO5/c1-5-22-12(20)15(16,17)11(19)10-6-8-18(9-7-10)13(21)23-14(2,3)4/h10-11,19H,5-9H2,1-4H3
InChIKeyNSKLGLJUJSTORA-UHFFFAOYSA-N
XLogP2.19
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-ethoxy-2,2-difluoro-1-hydroxy-3-oxopropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-ethoxy-2,2-difluoro-1-hydroxy-3-oxopropyl)piperidine-1-carboxylate (CID 21180610) is tert-butyl 4-(3-ethoxy-2,2-difluoro-1-hydroxy-3-oxopropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-ethoxy-2,2-difluoro-1-hydroxy-3-oxopropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-ethoxy-2,2-difluoro-1-hydroxy-3-oxopropyl)piperidine-1-carboxylate is CCOC(=O)C(F)(F)C(O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(3-ethoxy-2,2-difluoro-1-hydroxy-3-oxopropyl)piperidine-1-carboxylate?
The InChIKey is NSKLGLJUJSTORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2NO5/c1-5-22-12(20)15(16,17)11(19)10-6-8-18(9-7-10)13(21)23-14(2,3)4/h10-11,19H,5-9H2,1-4H3.
What are the key properties of tert-butyl 4-(3-ethoxy-2,2-difluoro-1-hydroxy-3-oxopropyl)piperidine-1-carboxylate?
tert-butyl 4-(3-ethoxy-2,2-difluoro-1-hydroxy-3-oxopropyl)piperidine-1-carboxylate has a molecular weight of 337.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-ethoxy-2,2-difluoro-1-hydroxy-3-oxopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 21180610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).