1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-one

C16H22FNO2 — CID 106836569

IUPAC1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-one
SMILESCC(O)C1CCN(CC(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C16H22FNO2/c1-12(19)13-6-8-18(9-7-13)11-15(20)10-14-4-2-3-5-16(14)17/h2-5,12-13,19H,6-11H2,1H3
InChIKeySHASDRFWZHSENE-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.03
Rot. Bonds5

About 1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-one

1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-one (PubChem CID 106836569) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-one
PubChem CID106836569
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-one
SMILESCC(O)C1CCN(CC(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C16H22FNO2/c1-12(19)13-6-8-18(9-7-13)11-15(20)10-14-4-2-3-5-16(14)17/h2-5,12-13,19H,6-11H2,1H3
InChIKeySHASDRFWZHSENE-UHFFFAOYSA-N
XLogP2.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-2-one
CID 114538567
N-[(2-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111113698
1-[3-(2-fluorophenyl)-2-oxopropyl]-N-methylpiperidine-3-carboxamide
CID 103196911
1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one
CID 62052719
1-(2-fluorophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-one
CID 102744775
1-ethyl-4-[3-(2-fluorophenyl)-2-oxopropyl]piperazine-2,3-dione
CID 62016943
N-[(2-fluorophenyl)methyl]-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 55519648
1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-one
CID 102933552
2-[3-(2-fluorophenyl)-2-oxopropyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82857136
1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110019767
1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-one
CID 107393650
2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetamide
CID 75370712

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-one (CID 106836569) is 1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-one is CC(O)C1CCN(CC(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-one?
The InChIKey is SHASDRFWZHSENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-12(19)13-6-8-18(9-7-13)11-15(20)10-14-4-2-3-5-16(14)17/h2-5,12-13,19H,6-11H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-one?
1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-one has a molecular weight of 279.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-one is sourced from PubChem (CID 106836569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).