3-[4-(2-cyclohexylethyl)-2,6-difluorophenyl]piperidine-2,6-dione

C19H23F2NO2 — CID 170129880

IUPAC3-[4-(2-cyclohexylethyl)-2,6-difluorophenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2c(F)cc(CCC3CCCCC3)cc2F)C(=O)N1
InChIInChI=1S/C19H23F2NO2/c20-15-10-13(7-6-12-4-2-1-3-5-12)11-16(21)18(15)14-8-9-17(23)22-19(14)24/h10-12,14H,1-9H2,(H,22,23,24)
InChIKeyGCSIALUCRHRANS-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.00
Rot. Bonds4

About 3-[4-(2-cyclohexylethyl)-2,6-difluorophenyl]piperidine-2,6-dione

3-[4-(2-cyclohexylethyl)-2,6-difluorophenyl]piperidine-2,6-dione (PubChem CID 170129880) has the molecular formula C19H23F2NO2 and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-[4-(2-cyclohexylethyl)-2,6-difluorophenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(2-cyclohexylethyl)-2,6-difluorophenyl]piperidine-2,6-dione
PubChem CID170129880
Molecular FormulaC19H23F2NO2
Molecular Weight335.39 g/mol
Exact Mass335.17
IUPAC Name3-[4-(2-cyclohexylethyl)-2,6-difluorophenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2c(F)cc(CCC3CCCCC3)cc2F)C(=O)N1
InChIInChI=1S/C19H23F2NO2/c20-15-10-13(7-6-12-4-2-1-3-5-12)11-16(21)18(15)14-8-9-17(23)22-19(14)24/h10-12,14H,1-9H2,(H,22,23,24)
InChIKeyGCSIALUCRHRANS-UHFFFAOYSA-N
XLogP4.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-cyclohexylethyl)-2,6-difluorophenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-(2-cyclohexylethyl)-2,6-difluorophenyl]piperidine-2,6-dione (CID 170129880) is 3-[4-(2-cyclohexylethyl)-2,6-difluorophenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(2-cyclohexylethyl)-2,6-difluorophenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(2-cyclohexylethyl)-2,6-difluorophenyl]piperidine-2,6-dione is O=C1CCC(c2c(F)cc(CCC3CCCCC3)cc2F)C(=O)N1.
What is the InChIKey of 3-[4-(2-cyclohexylethyl)-2,6-difluorophenyl]piperidine-2,6-dione?
The InChIKey is GCSIALUCRHRANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2NO2/c20-15-10-13(7-6-12-4-2-1-3-5-12)11-16(21)18(15)14-8-9-17(23)22-19(14)24/h10-12,14H,1-9H2,(H,22,23,24).
What are the key properties of 3-[4-(2-cyclohexylethyl)-2,6-difluorophenyl]piperidine-2,6-dione?
3-[4-(2-cyclohexylethyl)-2,6-difluorophenyl]piperidine-2,6-dione has a molecular weight of 335.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-cyclohexylethyl)-2,6-difluorophenyl]piperidine-2,6-dione is sourced from PubChem (CID 170129880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).