tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylate

C15H26FNO4 — CID 126739379

IUPACtert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylate
SMILESCCOC(=O)CC[C@]1(F)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26FNO4/c1-5-20-12(18)7-9-15(16)8-6-10-17(11-15)13(19)21-14(2,3)4/h5-11H2,1-4H3/t15-/m1/s1
InChIKeyFXLHWJSITDSDAQ-OAHLLOKOSA-N
MW303.37 g/mol
LogP3.07
Rot. Bonds4

About tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylate

tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylate (PubChem CID 126739379) has the molecular formula C15H26FNO4 and a molecular weight of 303.37 g/mol. Its IUPAC name is tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylate
PubChem CID126739379
Molecular FormulaC15H26FNO4
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Nametert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylate
SMILESCCOC(=O)CC[C@]1(F)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26FNO4/c1-5-20-12(18)7-9-15(16)8-6-10-17(11-15)13(19)21-14(2,3)4/h5-11H2,1-4H3/t15-/m1/s1
InChIKeyFXLHWJSITDSDAQ-OAHLLOKOSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylate
CID 126738763
tert-butyl (3R)-3-amino-3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 97111496
tert-butyl 3-amino-3-propylpiperidine-1-carboxylate
CID 83693042
1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate
CID 86306952
ethyl 3-(3-fluoro-1-formylpiperidin-3-yl)propanoate
CID 131996982
1-O-tert-butyl 3-O-ethyl (3R)-3-fluoropiperidine-1,3-dicarboxylate
CID 86334070
tert-butyl 4-cyclohexyl-4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 58602432
1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate
CID 117273382
tert-butyl (3S)-3-fluoro-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 156538802
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl 3-(2-aminoethyl)-3-(fluoromethyl)piperidine-1-carboxylate
CID 115048625
tert-butyl 4-(3-ethoxy-3-oxopropyl)piperazine-1-carboxylate
CID 23000690

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylate (CID 126739379) is tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylate is CCOC(=O)CC[C@]1(F)CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylate?
The InChIKey is FXLHWJSITDSDAQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H26FNO4/c1-5-20-12(18)7-9-15(16)8-6-10-17(11-15)13(19)21-14(2,3)4/h5-11H2,1-4H3/t15-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylate?
tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylate has a molecular weight of 303.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 126739379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).