1-(3-fluoro-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-one

C12H22FNO2 — CID 156780047

IUPAC1-(3-fluoro-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)CC(C)(C)N1CC(O)CF
InChIInChI=1S/C12H22FNO2/c1-11(2)5-9(15)6-12(3,4)14(11)8-10(16)7-13/h10,16H,5-8H2,1-4H3
InChIKeyXQJHKUIFFJJSBS-UHFFFAOYSA-N
MW231.31 g/mol
LogP1.54
Rot. Bonds3

About 1-(3-fluoro-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-one

1-(3-fluoro-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-one (PubChem CID 156780047) has the molecular formula C12H22FNO2 and a molecular weight of 231.31 g/mol. Its IUPAC name is 1-(3-fluoro-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-one.

Molecular Properties

Compound Name1-(3-fluoro-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-one
PubChem CID156780047
Molecular FormulaC12H22FNO2
Molecular Weight231.31 g/mol
Exact Mass231.16
IUPAC Name1-(3-fluoro-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)CC(C)(C)N1CC(O)CF
InChIInChI=1S/C12H22FNO2/c1-11(2)5-9(15)6-12(3,4)14(11)8-10(16)7-13/h10,16H,5-8H2,1-4H3
InChIKeyXQJHKUIFFJJSBS-UHFFFAOYSA-N
XLogP1.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoethyl)-2,2,6,6-tetramethylpiperidin-4-one
CID 82505874
Tempone
CID 520789
1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol
CID 131141250
3-(2-hydroxybutyl)-2,2,4,4,19-pentamethyl-7-oxa-3,19-diazadispiro[5.1.108.26]icosan-20-one
CID 59088121
2,6-diethyl-1-hydroxy-2,6-dimethylpiperidin-4-one
CID 22341840
3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-hydroxypropanoic acid
CID 66165467
5-oxo-5-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)pentanoic acid
CID 56693735
tripotassium bis(1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-one)
CID 172750388
CID 51033119
CID 51033119
3-(aminomethyl)-3-(2-methylpropyl)cyclobutan-1-one
CID 115012084
[[bis[2-[bis(diphosphonomethyl)amino]ethyl]amino]-phosphonomethyl]phosphonic acid;pentakis(1,2,2,6,6-pentamethylpiperidin-4-one)
CID 173025983
CID 52934986
CID 52934986

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-one?
The IUPAC name of 1-(3-fluoro-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-one (CID 156780047) is 1-(3-fluoro-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-one.
What is the SMILES notation for 1-(3-fluoro-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-one?
The canonical SMILES for 1-(3-fluoro-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-one is CC1(C)CC(=O)CC(C)(C)N1CC(O)CF.
What is the InChIKey of 1-(3-fluoro-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-one?
The InChIKey is XQJHKUIFFJJSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO2/c1-11(2)5-9(15)6-12(3,4)14(11)8-10(16)7-13/h10,16H,5-8H2,1-4H3.
What are the key properties of 1-(3-fluoro-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-one?
1-(3-fluoro-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-one has a molecular weight of 231.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-one is sourced from PubChem (CID 156780047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).