1-fluorobutyl 3-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate

C15H26FNO4 — CID 67635392

IUPAC1-fluorobutyl 3-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
SMILESCCCC(F)OC(=O)N1CCCC(CCC(=O)OCC)C1
InChIInChI=1S/C15H26FNO4/c1-3-6-13(16)21-15(19)17-10-5-7-12(11-17)8-9-14(18)20-4-2/h12-13H,3-11H2,1-2H3
InChIKeyRJEJNUGLZLOUHO-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.27
Rot. Bonds7

About 1-fluorobutyl 3-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate

1-fluorobutyl 3-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate (PubChem CID 67635392) has the molecular formula C15H26FNO4 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-fluorobutyl 3-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name1-fluorobutyl 3-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
PubChem CID67635392
Molecular FormulaC15H26FNO4
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name1-fluorobutyl 3-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
SMILESCCCC(F)OC(=O)N1CCCC(CCC(=O)OCC)C1
InChIInChI=1S/C15H26FNO4/c1-3-6-13(16)21-15(19)17-10-5-7-12(11-17)8-9-14(18)20-4-2/h12-13H,3-11H2,1-2H3
InChIKeyRJEJNUGLZLOUHO-UHFFFAOYSA-N
XLogP3.27
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-fluorobutyl 3-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate?
The IUPAC name of 1-fluorobutyl 3-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate (CID 67635392) is 1-fluorobutyl 3-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate.
What is the SMILES notation for 1-fluorobutyl 3-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate?
The canonical SMILES for 1-fluorobutyl 3-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate is CCCC(F)OC(=O)N1CCCC(CCC(=O)OCC)C1.
What is the InChIKey of 1-fluorobutyl 3-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate?
The InChIKey is RJEJNUGLZLOUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FNO4/c1-3-6-13(16)21-15(19)17-10-5-7-12(11-17)8-9-14(18)20-4-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-fluorobutyl 3-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate?
1-fluorobutyl 3-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate has a molecular weight of 303.37 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobutyl 3-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 67635392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).