2-fluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one

C10H18FNO2 — CID 126972962

IUPAC2-fluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCC1(O)CCN(C(=O)C(C)(C)F)CC1
InChIInChI=1S/C10H18FNO2/c1-9(2,11)8(13)12-6-4-10(3,14)5-7-12/h14H,4-7H2,1-3H3
InChIKeyULXDLZQDVVOKNH-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.11
Rot. Bonds1

About 2-fluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one

2-fluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one (PubChem CID 126972962) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-fluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-fluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
PubChem CID126972962
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name2-fluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCC1(O)CCN(C(=O)C(C)(C)F)CC1
InChIInChI=1S/C10H18FNO2/c1-9(2,11)8(13)12-6-4-10(3,14)5-7-12/h14H,4-7H2,1-3H3
InChIKeyULXDLZQDVVOKNH-UHFFFAOYSA-N
XLogP1.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406145
2-amino-2-ethyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
CID 81103514
2-amino-2-cyclopropyl-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 81103870
2-fluoro-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 130165267
1-(3,3-dimethylpyrrolidin-1-yl)-2,2-difluoropropan-1-one
CID 126993688
4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
2-(ethylamino)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one
CID 107404378
2-ethyl-2-(4-hydroxy-4-methylpiperidine-1-carbonyl)butanenitrile
CID 81103796
1-[4-(azetidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750157
(4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 80707552
2,2-dimethyl-1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 126750235
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 81116080

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 2-fluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one (CID 126972962) is 2-fluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-fluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-fluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one is CC1(O)CCN(C(=O)C(C)(C)F)CC1.
What is the InChIKey of 2-fluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one?
The InChIKey is ULXDLZQDVVOKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-9(2,11)8(13)12-6-4-10(3,14)5-7-12/h14H,4-7H2,1-3H3.
What are the key properties of 2-fluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one?
2-fluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one has a molecular weight of 203.26 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 126972962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).