5-[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one

C19H24FNO4 — CID 143304418

IUPAC5-[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one
SMILESCN1CCC(Cc2ccc(F)cc2)(C2=C(O)OC(C)(C)OC2=O)CC1
InChIInChI=1S/C19H24FNO4/c1-18(2)24-16(22)15(17(23)25-18)19(8-10-21(3)11-9-19)12-13-4-6-14(20)7-5-13/h4-7,22H,8-12H2,1-3H3
InChIKeyBZDJTEKCANOVKJ-UHFFFAOYSA-N
MW349.40 g/mol
LogP3.16
Rot. Bonds3

About 5-[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one

5-[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 143304418) has the molecular formula C19H24FNO4 and a molecular weight of 349.40 g/mol. Its IUPAC name is 5-[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name5-[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID143304418
Molecular FormulaC19H24FNO4
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name5-[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one
SMILESCN1CCC(Cc2ccc(F)cc2)(C2=C(O)OC(C)(C)OC2=O)CC1
InChIInChI=1S/C19H24FNO4/c1-18(2)24-16(22)15(17(23)25-18)19(8-10-21(3)11-9-19)12-13-4-6-14(20)7-5-13/h4-7,22H,8-12H2,1-3H3
InChIKeyBZDJTEKCANOVKJ-UHFFFAOYSA-N
XLogP3.16
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 5-[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one (CID 143304418) is 5-[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 5-[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 5-[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one is CN1CCC(Cc2ccc(F)cc2)(C2=C(O)OC(C)(C)OC2=O)CC1.
What is the InChIKey of 5-[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is BZDJTEKCANOVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO4/c1-18(2)24-16(22)15(17(23)25-18)19(8-10-21(3)11-9-19)12-13-4-6-14(20)7-5-13/h4-7,22H,8-12H2,1-3H3.
What are the key properties of 5-[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one?
5-[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 349.40 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 143304418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).