ethyl 1-(6,7-difluoroquinoxalin-2-yl)-4-hydroxypiperidine-4-carboxylate

C16H17F2N3O3 — CID 56806801

IUPACethyl 1-(6,7-difluoroquinoxalin-2-yl)-4-hydroxypiperidine-4-carboxylate
SMILESCCOC(=O)C1(O)CCN(c2cnc3cc(F)c(F)cc3n2)CC1
InChIInChI=1S/C16H17F2N3O3/c1-2-24-15(22)16(23)3-5-21(6-4-16)14-9-19-12-7-10(17)11(18)8-13(12)20-14/h7-9,23H,2-6H2,1H3
InChIKeyUWFNZGURUPZBBY-UHFFFAOYSA-N
MW337.33 g/mol
LogP1.80
Rot. Bonds3

About ethyl 1-(6,7-difluoroquinoxalin-2-yl)-4-hydroxypiperidine-4-carboxylate

ethyl 1-(6,7-difluoroquinoxalin-2-yl)-4-hydroxypiperidine-4-carboxylate (PubChem CID 56806801) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is ethyl 1-(6,7-difluoroquinoxalin-2-yl)-4-hydroxypiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6,7-difluoroquinoxalin-2-yl)-4-hydroxypiperidine-4-carboxylate
PubChem CID56806801
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC Nameethyl 1-(6,7-difluoroquinoxalin-2-yl)-4-hydroxypiperidine-4-carboxylate
SMILESCCOC(=O)C1(O)CCN(c2cnc3cc(F)c(F)cc3n2)CC1
InChIInChI=1S/C16H17F2N3O3/c1-2-24-15(22)16(23)3-5-21(6-4-16)14-9-19-12-7-10(17)11(18)8-13(12)20-14/h7-9,23H,2-6H2,1H3
InChIKeyUWFNZGURUPZBBY-UHFFFAOYSA-N
XLogP1.80
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6,7-difluoroquinoxalin-2-yl)-4-hydroxypiperidine-4-carboxylate?
The IUPAC name of ethyl 1-(6,7-difluoroquinoxalin-2-yl)-4-hydroxypiperidine-4-carboxylate (CID 56806801) is ethyl 1-(6,7-difluoroquinoxalin-2-yl)-4-hydroxypiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(6,7-difluoroquinoxalin-2-yl)-4-hydroxypiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(6,7-difluoroquinoxalin-2-yl)-4-hydroxypiperidine-4-carboxylate is CCOC(=O)C1(O)CCN(c2cnc3cc(F)c(F)cc3n2)CC1.
What is the InChIKey of ethyl 1-(6,7-difluoroquinoxalin-2-yl)-4-hydroxypiperidine-4-carboxylate?
The InChIKey is UWFNZGURUPZBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3/c1-2-24-15(22)16(23)3-5-21(6-4-16)14-9-19-12-7-10(17)11(18)8-13(12)20-14/h7-9,23H,2-6H2,1H3.
What are the key properties of ethyl 1-(6,7-difluoroquinoxalin-2-yl)-4-hydroxypiperidine-4-carboxylate?
ethyl 1-(6,7-difluoroquinoxalin-2-yl)-4-hydroxypiperidine-4-carboxylate has a molecular weight of 337.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6,7-difluoroquinoxalin-2-yl)-4-hydroxypiperidine-4-carboxylate is sourced from PubChem (CID 56806801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).