ethyl 4-fluoro-1-(oxetan-3-yl)piperidine-4-carboxylate

C11H18FNO3 — CID 67126714

IUPACethyl 4-fluoro-1-(oxetan-3-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(F)CCN(C2COC2)CC1
InChIInChI=1S/C11H18FNO3/c1-2-16-10(14)11(12)3-5-13(6-4-11)9-7-15-8-9/h9H,2-8H2,1H3
InChIKeyFCKFQWNKNGFEGQ-UHFFFAOYSA-N
MW231.27 g/mol
LogP0.75
Rot. Bonds3

About ethyl 4-fluoro-1-(oxetan-3-yl)piperidine-4-carboxylate

ethyl 4-fluoro-1-(oxetan-3-yl)piperidine-4-carboxylate (PubChem CID 67126714) has the molecular formula C11H18FNO3 and a molecular weight of 231.27 g/mol. Its IUPAC name is ethyl 4-fluoro-1-(oxetan-3-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-fluoro-1-(oxetan-3-yl)piperidine-4-carboxylate
PubChem CID67126714
Molecular FormulaC11H18FNO3
Molecular Weight231.27 g/mol
Exact Mass231.13
IUPAC Nameethyl 4-fluoro-1-(oxetan-3-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(F)CCN(C2COC2)CC1
InChIInChI=1S/C11H18FNO3/c1-2-16-10(14)11(12)3-5-13(6-4-11)9-7-15-8-9/h9H,2-8H2,1H3
InChIKeyFCKFQWNKNGFEGQ-UHFFFAOYSA-N
XLogP0.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluoro-1-(oxetan-3-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 4-fluoro-1-(oxetan-3-yl)piperidine-4-carboxylate (CID 67126714) is ethyl 4-fluoro-1-(oxetan-3-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-fluoro-1-(oxetan-3-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-fluoro-1-(oxetan-3-yl)piperidine-4-carboxylate is CCOC(=O)C1(F)CCN(C2COC2)CC1.
What is the InChIKey of ethyl 4-fluoro-1-(oxetan-3-yl)piperidine-4-carboxylate?
The InChIKey is FCKFQWNKNGFEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO3/c1-2-16-10(14)11(12)3-5-13(6-4-11)9-7-15-8-9/h9H,2-8H2,1H3.
What are the key properties of ethyl 4-fluoro-1-(oxetan-3-yl)piperidine-4-carboxylate?
ethyl 4-fluoro-1-(oxetan-3-yl)piperidine-4-carboxylate has a molecular weight of 231.27 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluoro-1-(oxetan-3-yl)piperidine-4-carboxylate is sourced from PubChem (CID 67126714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).