4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazine-2,6-dione

C14H17FN2O3 — CID 66075751

IUPAC4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazine-2,6-dione
SMILESC[C@@H](O)c1c(F)cccc1N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C14H17FN2O3/c1-8(18)12-9(15)5-4-6-10(12)17-7-11(19)16-13(20)14(17,2)3/h4-6,8,18H,7H2,1-3H3,(H,16,19,20)/t8-/m1/s1
InChIKeyLORUHOAEDKYJIU-MRVPVSSYSA-N
MW280.30 g/mol
LogP1.12
Rot. Bonds2

About 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazine-2,6-dione

4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66075751) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazine-2,6-dione
PubChem CID66075751
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazine-2,6-dione
SMILESC[C@@H](O)c1c(F)cccc1N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C14H17FN2O3/c1-8(18)12-9(15)5-4-6-10(12)17-7-11(19)16-13(20)14(17,2)3/h4-6,8,18H,7H2,1-3H3,(H,16,19,20)/t8-/m1/s1
InChIKeyLORUHOAEDKYJIU-MRVPVSSYSA-N
XLogP1.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazine-2,6-dione (CID 66075751) is 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazine-2,6-dione is C[C@@H](O)c1c(F)cccc1N1CC(=O)NC(=O)C1(C)C.
What is the InChIKey of 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is LORUHOAEDKYJIU-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-8(18)12-9(15)5-4-6-10(12)17-7-11(19)16-13(20)14(17,2)3/h4-6,8,18H,7H2,1-3H3,(H,16,19,20)/t8-/m1/s1.
What are the key properties of 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazine-2,6-dione?
4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 280.30 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66075751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).