(2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylic acid

C14H16FNO4 — CID 69066785

IUPAC(2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCC(=O)N1[C@@H](CO)c1ccc(F)cc1
InChIInChI=1S/C14H16FNO4/c15-10-6-4-9(5-7-10)12(8-17)16-11(14(19)20)2-1-3-13(16)18/h4-7,11-12,17H,1-3,8H2,(H,19,20)/t11-,12+/m1/s1
InChIKeyWDGYZLHWNSWQQZ-NEPJUHHUSA-N
MW281.28 g/mol
LogP1.32
Rot. Bonds4

About (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylic acid

(2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylic acid (PubChem CID 69066785) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylic acid
PubChem CID69066785
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name(2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCC(=O)N1[C@@H](CO)c1ccc(F)cc1
InChIInChI=1S/C14H16FNO4/c15-10-6-4-9(5-7-10)12(8-17)16-11(14(19)20)2-1-3-13(16)18/h4-7,11-12,17H,1-3,8H2,(H,19,20)/t11-,12+/m1/s1
InChIKeyWDGYZLHWNSWQQZ-NEPJUHHUSA-N
XLogP1.32
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylic acid (CID 69066785) is (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylic acid is O=C(O)[C@H]1CCCC(=O)N1[C@@H](CO)c1ccc(F)cc1.
What is the InChIKey of (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylic acid?
The InChIKey is WDGYZLHWNSWQQZ-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H16FNO4/c15-10-6-4-9(5-7-10)12(8-17)16-11(14(19)20)2-1-3-13(16)18/h4-7,11-12,17H,1-3,8H2,(H,19,20)/t11-,12+/m1/s1.
What are the key properties of (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylic acid?
(2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylic acid is sourced from PubChem (CID 69066785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).