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

C20H21Cl2NO3 — CID 46028843

IUPAC2-(4-chlorophenoxy)-1-[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCCC(OCc2ccccc2Cl)C1
InChIInChI=1S/C20H21Cl2NO3/c21-16-7-9-17(10-8-16)26-14-20(24)23-11-3-5-18(12-23)25-13-15-4-1-2-6-19(15)22/h1-2,4,6-10,18H,3,5,11-14H2
InChIKeyCMQJALCDZKZOSM-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.58
Rot. Bonds6

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

2-(4-chlorophenoxy)-1-[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]ethanone (PubChem CID 46028843) has the molecular formula C20H21Cl2NO3 and a molecular weight of 394.30 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]ethanone
PubChem CID46028843
Molecular FormulaC20H21Cl2NO3
Molecular Weight394.30 g/mol
Exact Mass393.09
IUPAC Name2-(4-chlorophenoxy)-1-[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCCC(OCc2ccccc2Cl)C1
InChIInChI=1S/C20H21Cl2NO3/c21-16-7-9-17(10-8-16)26-14-20(24)23-11-3-5-18(12-23)25-13-15-4-1-2-6-19(15)22/h1-2,4,6-10,18H,3,5,11-14H2
InChIKeyCMQJALCDZKZOSM-UHFFFAOYSA-N
XLogP4.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-1-[(3R)-3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 93223519
1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223488
2-(4-chlorophenoxy)-1-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42844150
2-(4-chlorophenoxy)-1-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]ethanone
CID 93223599
2-(4-chlorophenoxy)-1-[(3S)-3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
CID 93223135
2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62535016
2-(4-chlorophenoxy)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 19293287
1-[3-[(4-chlorophenoxy)methyl]piperidin-1-yl]-2-phenoxyethanone
CID 110638734
2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone
CID 91627663
(2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223153
[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46028836
2-(4-chlorophenoxy)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260293

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]ethanone (CID 46028843) is 2-(4-chlorophenoxy)-1-[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]ethanone is O=C(COc1ccc(Cl)cc1)N1CCCC(OCc2ccccc2Cl)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]ethanone?
The InChIKey is CMQJALCDZKZOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO3/c21-16-7-9-17(10-8-16)26-14-20(24)23-11-3-5-18(12-23)25-13-15-4-1-2-6-19(15)22/h1-2,4,6-10,18H,3,5,11-14H2.
What are the key properties of 2-(4-chlorophenoxy)-1-[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]ethanone?
2-(4-chlorophenoxy)-1-[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]ethanone has a molecular weight of 394.30 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 46028843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).