1-[3-(4-fluorophenyl)-3-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione

C16H20FNO3 — CID 70062818

IUPAC1-[3-(4-fluorophenyl)-3-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CCC(O)c2ccc(F)cc2)C(=O)C1
InChIInChI=1S/C16H20FNO3/c1-16(2)9-14(20)18(15(21)10-16)8-7-13(19)11-3-5-12(17)6-4-11/h3-6,13,19H,7-10H2,1-2H3
InChIKeyCSCSHORZLZXSRL-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.42
Rot. Bonds4

About 1-[3-(4-fluorophenyl)-3-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione

1-[3-(4-fluorophenyl)-3-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione (PubChem CID 70062818) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-3-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-3-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione
PubChem CID70062818
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name1-[3-(4-fluorophenyl)-3-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CCC(O)c2ccc(F)cc2)C(=O)C1
InChIInChI=1S/C16H20FNO3/c1-16(2)9-14(20)18(15(21)10-16)8-7-13(19)11-3-5-12(17)6-4-11/h3-6,13,19H,7-10H2,1-2H3
InChIKeyCSCSHORZLZXSRL-UHFFFAOYSA-N
XLogP2.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-3-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-[3-(4-fluorophenyl)-3-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione (CID 70062818) is 1-[3-(4-fluorophenyl)-3-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-3-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-[3-(4-fluorophenyl)-3-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)N(CCC(O)c2ccc(F)cc2)C(=O)C1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-3-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is CSCSHORZLZXSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-16(2)9-14(20)18(15(21)10-16)8-7-13(19)11-3-5-12(17)6-4-11/h3-6,13,19H,7-10H2,1-2H3.
What are the key properties of 1-[3-(4-fluorophenyl)-3-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione?
1-[3-(4-fluorophenyl)-3-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 293.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-3-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 70062818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).