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

C20H21ClFNO2 — CID 46704723

IUPAC2-(3-chlorophenoxy)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone
SMILESO=C(COc1cccc(Cl)c1)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H21ClFNO2/c21-17-2-1-3-19(13-17)25-14-20(24)23-10-8-16(9-11-23)12-15-4-6-18(22)7-5-15/h1-7,13,16H,8-12,14H2
InChIKeyMMDVCEQOTGXGDU-UHFFFAOYSA-N
MW361.84 g/mol
LogP4.34
Rot. Bonds5

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

2-(3-chlorophenoxy)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone (PubChem CID 46704723) has the molecular formula C20H21ClFNO2 and a molecular weight of 361.84 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone
PubChem CID46704723
Molecular FormulaC20H21ClFNO2
Molecular Weight361.84 g/mol
Exact Mass361.12
IUPAC Name2-(3-chlorophenoxy)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone
SMILESO=C(COc1cccc(Cl)c1)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H21ClFNO2/c21-17-2-1-3-19(13-17)25-14-20(24)23-10-8-16(9-11-23)12-15-4-6-18(22)7-5-15/h1-7,13,16H,8-12,14H2
InChIKeyMMDVCEQOTGXGDU-UHFFFAOYSA-N
XLogP4.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.84
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-(4-Chloro-2-methylphenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 2941235
1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(2-phenoxyethyl)-3-piperidinecarboxamide
CID 24793219

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenoxy)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone (CID 46704723) is 2-(3-chlorophenoxy)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenoxy)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone is O=C(COc1cccc(Cl)c1)N1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone?
The InChIKey is MMDVCEQOTGXGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO2/c21-17-2-1-3-19(13-17)25-14-20(24)23-10-8-16(9-11-23)12-15-4-6-18(22)7-5-15/h1-7,13,16H,8-12,14H2.
What are the key properties of 2-(3-chlorophenoxy)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone?
2-(3-chlorophenoxy)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone has a molecular weight of 361.84 g/mol, XLogP of 4.34, 5 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)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 46704723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).