(3R)-3-[2,6-difluoro-4-(4-hydroxybutyl)phenyl]piperidine-2,6-dione

C15H17F2NO3 — CID 167264514

IUPAC(3R)-3-[2,6-difluoro-4-(4-hydroxybutyl)phenyl]piperidine-2,6-dione
SMILESO=C1CC[C@H](c2c(F)cc(CCCCO)cc2F)C(=O)N1
InChIInChI=1S/C15H17F2NO3/c16-11-7-9(3-1-2-6-19)8-12(17)14(11)10-4-5-13(20)18-15(10)21/h7-8,10,19H,1-6H2,(H,18,20,21)/t10-/m1/s1
InChIKeyFLFFXFMABVJANL-SNVBAGLBSA-N
MW297.30 g/mol
LogP1.80
Rot. Bonds5

About (3R)-3-[2,6-difluoro-4-(4-hydroxybutyl)phenyl]piperidine-2,6-dione

(3R)-3-[2,6-difluoro-4-(4-hydroxybutyl)phenyl]piperidine-2,6-dione (PubChem CID 167264514) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is (3R)-3-[2,6-difluoro-4-(4-hydroxybutyl)phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-[2,6-difluoro-4-(4-hydroxybutyl)phenyl]piperidine-2,6-dione
PubChem CID167264514
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name(3R)-3-[2,6-difluoro-4-(4-hydroxybutyl)phenyl]piperidine-2,6-dione
SMILESO=C1CC[C@H](c2c(F)cc(CCCCO)cc2F)C(=O)N1
InChIInChI=1S/C15H17F2NO3/c16-11-7-9(3-1-2-6-19)8-12(17)14(11)10-4-5-13(20)18-15(10)21/h7-8,10,19H,1-6H2,(H,18,20,21)/t10-/m1/s1
InChIKeyFLFFXFMABVJANL-SNVBAGLBSA-N
XLogP1.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2,6-difluoro-4-(4-hydroxybutyl)phenyl]piperidine-2,6-dione?
The IUPAC name of (3R)-3-[2,6-difluoro-4-(4-hydroxybutyl)phenyl]piperidine-2,6-dione (CID 167264514) is (3R)-3-[2,6-difluoro-4-(4-hydroxybutyl)phenyl]piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-[2,6-difluoro-4-(4-hydroxybutyl)phenyl]piperidine-2,6-dione?
The canonical SMILES for (3R)-3-[2,6-difluoro-4-(4-hydroxybutyl)phenyl]piperidine-2,6-dione is O=C1CC[C@H](c2c(F)cc(CCCCO)cc2F)C(=O)N1.
What is the InChIKey of (3R)-3-[2,6-difluoro-4-(4-hydroxybutyl)phenyl]piperidine-2,6-dione?
The InChIKey is FLFFXFMABVJANL-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17F2NO3/c16-11-7-9(3-1-2-6-19)8-12(17)14(11)10-4-5-13(20)18-15(10)21/h7-8,10,19H,1-6H2,(H,18,20,21)/t10-/m1/s1.
What are the key properties of (3R)-3-[2,6-difluoro-4-(4-hydroxybutyl)phenyl]piperidine-2,6-dione?
(3R)-3-[2,6-difluoro-4-(4-hydroxybutyl)phenyl]piperidine-2,6-dione has a molecular weight of 297.30 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2,6-difluoro-4-(4-hydroxybutyl)phenyl]piperidine-2,6-dione is sourced from PubChem (CID 167264514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).