2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperidin-1-yl]ethanone

C19H19ClFNO2 — CID 44765798

IUPAC2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperidin-1-yl]ethanone
SMILESO=C(COc1cccc(Cl)c1)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19ClFNO2/c20-16-2-1-3-18(12-16)24-13-19(23)22-10-8-15(9-11-22)14-4-6-17(21)7-5-14/h1-7,12,15H,8-11,13H2
InChIKeyYNGSRIMJSMIHPD-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.26
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperidin-1-yl]ethanone

2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperidin-1-yl]ethanone (PubChem CID 44765798) has the molecular formula C19H19ClFNO2 and a molecular weight of 347.82 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperidin-1-yl]ethanone
PubChem CID44765798
Molecular FormulaC19H19ClFNO2
Molecular Weight347.82 g/mol
Exact Mass347.11
IUPAC Name2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperidin-1-yl]ethanone
SMILESO=C(COc1cccc(Cl)c1)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19ClFNO2/c20-16-2-1-3-18(12-16)24-13-19(23)22-10-8-15(9-11-22)14-4-6-17(21)7-5-14/h1-7,12,15H,8-11,13H2
InChIKeyYNGSRIMJSMIHPD-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 883824
1-(4-Benzylpiperidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 887582
1-[(4-Chlorophenoxy)acetyl]-4-(phenylacetyl)piperazine
CID 1072066
1-[(4-Chloro-2-methylphenoxy)acetyl]-3,5-dimethylpiperidine
CID 2931607
1-(4-Benzylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone
CID 752941
2-(4-Fluorophenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 2927893
(R)-1-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone
CID 9999626
2-Pyrrolidinone, 1-(4-(chlorophenoxy)acetyl)-4-phenyl-
CID 2831496
2-(4-Chloro-2-methylphenoxy)-1-(piperidin-1-yl)ethanone
CID 774159
1-[(4-Chlorophenoxy)acetyl]-4-(3-phenyl-2-propen-1-yl)piperazine
CID 1001000
2-(3-chlorophenoxy)-N-(4-phenylbutyl)propanamide
CID 2933095
N-[(1S,2S)-3-(4-chlorophenyl)-1-methyl-2-phenylpropyl]-2-(3-fluorophenyloxy)-2-methylpropanamide
CID 16098336

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperidin-1-yl]ethanone (CID 44765798) is 2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperidin-1-yl]ethanone is O=C(COc1cccc(Cl)c1)N1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperidin-1-yl]ethanone?
The InChIKey is YNGSRIMJSMIHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO2/c20-16-2-1-3-18(12-16)24-13-19(23)22-10-8-15(9-11-22)14-4-6-17(21)7-5-14/h1-7,12,15H,8-11,13H2.
What are the key properties of 2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperidin-1-yl]ethanone?
2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperidin-1-yl]ethanone has a molecular weight of 347.82 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 44765798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).