1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one

C16H22FNO2 — CID 62053303

IUPAC1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)c1ccc(F)cc1)N1CCCCC1CCO
InChIInChI=1S/C16H22FNO2/c1-12(16(20)13-5-7-14(17)8-6-13)18-10-3-2-4-15(18)9-11-19/h5-8,12,15,19H,2-4,9-11H2,1H3
InChIKeyCVLVPUJKABYCIB-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.63
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one

1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one (PubChem CID 62053303) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
PubChem CID62053303
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)c1ccc(F)cc1)N1CCCCC1CCO
InChIInChI=1S/C16H22FNO2/c1-12(16(20)13-5-7-14(17)8-6-13)18-10-3-2-4-15(18)9-11-19/h5-8,12,15,19H,2-4,9-11H2,1H3
InChIKeyCVLVPUJKABYCIB-UHFFFAOYSA-N
XLogP2.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62037342
1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62469380
2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 43227547
2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 104690703
1-(4-bromophenyl)-2-(2-propylpiperidin-1-yl)propan-1-one
CID 83055660
1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one
CID 83055659
2-[2-(hydroxymethyl)azepan-1-yl]-1-phenylpropan-1-one
CID 116635361
1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 82256528
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide
CID 95268917
butyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]propanoate
CID 111461966
1-(4-fluorophenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine
CID 83053529
methyl 5-[1-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]furan-2-carboxylate
CID 79084701

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one (CID 62053303) is 1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one is CC(C(=O)c1ccc(F)cc1)N1CCCCC1CCO.
What is the InChIKey of 1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The InChIKey is CVLVPUJKABYCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-12(16(20)13-5-7-14(17)8-6-13)18-10-3-2-4-15(18)9-11-19/h5-8,12,15,19H,2-4,9-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one has a molecular weight of 279.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 62053303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).