2-(4-fluorophenyl)-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone

C15H20FNO2 — CID 115269211

IUPAC2-(4-fluorophenyl)-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
SMILESCC1(C)C(O)CCCN1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-15(2)13(18)4-3-9-17(15)14(19)10-11-5-7-12(16)8-6-11/h5-8,13,18H,3-4,9-10H2,1-2H3
InChIKeyHNAAURHLPZGNRJ-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.13
Rot. Bonds2

About 2-(4-fluorophenyl)-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone

2-(4-fluorophenyl)-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone (PubChem CID 115269211) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
PubChem CID115269211
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name2-(4-fluorophenyl)-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
SMILESCC1(C)C(O)CCCN1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-15(2)13(18)4-3-9-17(15)14(19)10-11-5-7-12(16)8-6-11/h5-8,13,18H,3-4,9-10H2,1-2H3
InChIKeyHNAAURHLPZGNRJ-UHFFFAOYSA-N
XLogP2.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115269412
1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 115275046
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
1-[2-(4-fluorophenyl)acetyl]-6,6-dimethylpiperidin-3-one
CID 115269472
1-[(2R,3aR,4R,8aR)-2-(aminomethyl)-4-hydroxy-3a-methyl-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-1-yl]-2-(4-fluorophenyl)ethanone
CID 110143646
1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 16796004
1-(2-cyclobutylpyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110871905
1-(4-cyclopentylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110708885
1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenyl)ethanone;ethane
CID 145332468
2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868488
(4aR,9aR)-1-[2-(4-fluorophenyl)acetyl]-5-methyl-2,3,4,4a,7,8,9,9a-octahydropyrido[3,2-b]azepin-6-one
CID 110124795

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone (CID 115269211) is 2-(4-fluorophenyl)-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone is CC1(C)C(O)CCCN1C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone?
The InChIKey is HNAAURHLPZGNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-15(2)13(18)4-3-9-17(15)14(19)10-11-5-7-12(16)8-6-11/h5-8,13,18H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone?
2-(4-fluorophenyl)-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone has a molecular weight of 265.33 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 115269211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).