1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one

C16H22FNO2 — CID 62052719

IUPAC1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one
SMILESO=C(Cc1ccccc1F)CN1CCCCC1CCO
InChIInChI=1S/C16H22FNO2/c17-16-7-2-1-5-13(16)11-15(20)12-18-9-4-3-6-14(18)8-10-19/h1-2,5,7,14,19H,3-4,6,8-12H2
InChIKeyIWGLTVJZWZEYIG-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.17
Rot. Bonds6

About 1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one

1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one (PubChem CID 62052719) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one
PubChem CID62052719
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one
SMILESO=C(Cc1ccccc1F)CN1CCCCC1CCO
InChIInChI=1S/C16H22FNO2/c17-16-7-2-1-5-13(16)11-15(20)12-18-9-4-3-6-14(18)8-10-19/h1-2,5,7,14,19H,3-4,6,8-12H2
InChIKeyIWGLTVJZWZEYIG-UHFFFAOYSA-N
XLogP2.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one
CID 62052910
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(2-fluorophenyl)propan-2-one
CID 82749677
1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 62618678
N-[(2-fluorophenyl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
CID 110918997
(2S)-N-[3-(2-fluorophenyl)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 125140406
2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 60690062
1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-one
CID 106836569
2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 113345056
N-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide
CID 60690329
2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119916023
1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 82256579
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenacylacetamide
CID 111913601

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one (CID 62052719) is 1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one is O=C(Cc1ccccc1F)CN1CCCCC1CCO.
What is the InChIKey of 1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one?
The InChIKey is IWGLTVJZWZEYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c17-16-7-2-1-5-13(16)11-15(20)12-18-9-4-3-6-14(18)8-10-19/h1-2,5,7,14,19H,3-4,6,8-12H2.
What are the key properties of 1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one?
1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one has a molecular weight of 279.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one is sourced from PubChem (CID 62052719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).