(4R,5R)-4-(4-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dioxolan-2-one

C18H24FNO4 — CID 101430937

IUPAC(4R,5R)-4-(4-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dioxolan-2-one
SMILESCC1(C)CCCC(C)(C)N1O[C@H]1OC(=O)O[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C18H24FNO4/c1-17(2)10-5-11-18(3,4)20(17)24-15-14(22-16(21)23-15)12-6-8-13(19)9-7-12/h6-9,14-15H,5,10-11H2,1-4H3/t14-,15-/m1/s1
InChIKeyBTRVZSFMPIMEDC-HUUCEWRRSA-N
MW337.39 g/mol
LogP4.33
Rot. Bonds3

About (4R,5R)-4-(4-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dioxolan-2-one

(4R,5R)-4-(4-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dioxolan-2-one (PubChem CID 101430937) has the molecular formula C18H24FNO4 and a molecular weight of 337.39 g/mol. Its IUPAC name is (4R,5R)-4-(4-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-(4-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dioxolan-2-one
PubChem CID101430937
Molecular FormulaC18H24FNO4
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name(4R,5R)-4-(4-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dioxolan-2-one
SMILESCC1(C)CCCC(C)(C)N1O[C@H]1OC(=O)O[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C18H24FNO4/c1-17(2)10-5-11-18(3,4)20(17)24-15-14(22-16(21)23-15)12-6-8-13(19)9-7-12/h6-9,14-15H,5,10-11H2,1-4H3/t14-,15-/m1/s1
InChIKeyBTRVZSFMPIMEDC-HUUCEWRRSA-N
XLogP4.33
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R,5R)-4-(4-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dioxolan-2-one with MolForge

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Related Compounds

[(2R,3S)-2-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone
CID 101469199
3-(4-fluorophenyl)-4,4-dimethyl-2-oxaspiro[5.5]undecane-1,5-dione
CID 573487
(1S,2R,4S,5R)-2,4-bis(4-fluorophenyl)-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-one
CID 139086026
(1R,4R,5S,6S)-4-(4-fluorophenyl)-2,2,6-trimethyl-3-oxabicyclo[3.3.1]nonan-7-one
CID 46197175
1-(4-fluorophenyl)-2-phenoxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
CID 73211959
[2-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] acetate
CID 101430933
(4S)-4-amino-5-(4-fluorophenyl)oxolan-2-one
CID 70259290
3-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide
CID 90808912
(6S)-6-(4-fluorophenyl)oxan-2-one
CID 56598080
(16R)-16-(4-fluorophenyl)-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione
CID 705079
16-(4-fluorophenyl)-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione
CID 573696
(4R,5R)-3-tert-butyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 59135116

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-(4-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dioxolan-2-one?
The IUPAC name of (4R,5R)-4-(4-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dioxolan-2-one (CID 101430937) is (4R,5R)-4-(4-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dioxolan-2-one.
What is the SMILES notation for (4R,5R)-4-(4-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dioxolan-2-one?
The canonical SMILES for (4R,5R)-4-(4-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dioxolan-2-one is CC1(C)CCCC(C)(C)N1O[C@H]1OC(=O)O[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (4R,5R)-4-(4-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dioxolan-2-one?
The InChIKey is BTRVZSFMPIMEDC-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H24FNO4/c1-17(2)10-5-11-18(3,4)20(17)24-15-14(22-16(21)23-15)12-6-8-13(19)9-7-12/h6-9,14-15H,5,10-11H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of (4R,5R)-4-(4-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dioxolan-2-one?
(4R,5R)-4-(4-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dioxolan-2-one has a molecular weight of 337.39 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-(4-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-1,3-dioxolan-2-one is sourced from PubChem (CID 101430937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).