ethyl (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylate

C16H20FNO4 — CID 67464974

IUPACethyl (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCC(=O)N1[C@@H](CO)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO4/c1-2-22-16(21)13-4-3-5-15(20)18(13)14(10-19)11-6-8-12(17)9-7-11/h6-9,13-14,19H,2-5,10H2,1H3/t13-,14+/m1/s1
InChIKeyGPYRHGXSEMUIBO-KGLIPLIRSA-N
MW309.34 g/mol
LogP1.80
Rot. Bonds5

About ethyl (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylate

ethyl (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylate (PubChem CID 67464974) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is ethyl (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylate
PubChem CID67464974
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC Nameethyl (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCC(=O)N1[C@@H](CO)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO4/c1-2-22-16(21)13-4-3-5-15(20)18(13)14(10-19)11-6-8-12(17)9-7-11/h6-9,13-14,19H,2-5,10H2,1H3/t13-,14+/m1/s1
InChIKeyGPYRHGXSEMUIBO-KGLIPLIRSA-N
XLogP1.80
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylate?
The IUPAC name of ethyl (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylate (CID 67464974) is ethyl (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylate?
The canonical SMILES for ethyl (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylate is CCOC(=O)[C@H]1CCCC(=O)N1[C@@H](CO)c1ccc(F)cc1.
What is the InChIKey of ethyl (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylate?
The InChIKey is GPYRHGXSEMUIBO-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H20FNO4/c1-2-22-16(21)13-4-3-5-15(20)18(13)14(10-19)11-6-8-12(17)9-7-11/h6-9,13-14,19H,2-5,10H2,1H3/t13-,14+/m1/s1.
What are the key properties of ethyl (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylate?
ethyl (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylate has a molecular weight of 309.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylate is sourced from PubChem (CID 67464974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).