2-(2-chloro-6-fluorophenyl)-1-[3-(phenylmethoxymethyl)piperidin-1-yl]ethanone

C21H23ClFNO2 — CID 90505258

IUPAC2-(2-chloro-6-fluorophenyl)-1-[3-(phenylmethoxymethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCCC(COCc2ccccc2)C1
InChIInChI=1S/C21H23ClFNO2/c22-19-9-4-10-20(23)18(19)12-21(25)24-11-5-8-17(13-24)15-26-14-16-6-2-1-3-7-16/h1-4,6-7,9-10,17H,5,8,11-15H2
InChIKeyGGAWKJXQLVUBSK-UHFFFAOYSA-N
MW375.87 g/mol
LogP4.48
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-1-[3-(phenylmethoxymethyl)piperidin-1-yl]ethanone

2-(2-chloro-6-fluorophenyl)-1-[3-(phenylmethoxymethyl)piperidin-1-yl]ethanone (PubChem CID 90505258) has the molecular formula C21H23ClFNO2 and a molecular weight of 375.87 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-[3-(phenylmethoxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-[3-(phenylmethoxymethyl)piperidin-1-yl]ethanone
PubChem CID90505258
Molecular FormulaC21H23ClFNO2
Molecular Weight375.87 g/mol
Exact Mass375.14
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-[3-(phenylmethoxymethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCCC(COCc2ccccc2)C1
InChIInChI=1S/C21H23ClFNO2/c22-19-9-4-10-20(23)18(19)12-21(25)24-11-5-8-17(13-24)15-26-14-16-6-2-1-3-7-16/h1-4,6-7,9-10,17H,5,8,11-15H2
InChIKeyGGAWKJXQLVUBSK-UHFFFAOYSA-N
XLogP4.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.87
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505160
2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 51680982
1-(3-bromopiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 80660364
(E)-3-(2-chlorophenyl)-1-[3-(phenylmethoxymethyl)piperidin-1-yl]prop-2-en-1-one
CID 90505090
2-(2-chloro-6-fluorophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119493667
2-(2-chloro-6-fluorophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746530
2-(2,6-dichlorophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62357455
1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 90504984
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone;hydrochloride
CID 120727493
methyl 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-3-carboxylate
CID 78919018
1-(4-aminopiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone;hydrochloride
CID 119376793
2-(2-chloro-6-fluorophenyl)-1-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 155494157

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[3-(phenylmethoxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[3-(phenylmethoxymethyl)piperidin-1-yl]ethanone (CID 90505258) is 2-(2-chloro-6-fluorophenyl)-1-[3-(phenylmethoxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-[3-(phenylmethoxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-[3-(phenylmethoxymethyl)piperidin-1-yl]ethanone is O=C(Cc1c(F)cccc1Cl)N1CCCC(COCc2ccccc2)C1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-[3-(phenylmethoxymethyl)piperidin-1-yl]ethanone?
The InChIKey is GGAWKJXQLVUBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFNO2/c22-19-9-4-10-20(23)18(19)12-21(25)24-11-5-8-17(13-24)15-26-14-16-6-2-1-3-7-16/h1-4,6-7,9-10,17H,5,8,11-15H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-[3-(phenylmethoxymethyl)piperidin-1-yl]ethanone?
2-(2-chloro-6-fluorophenyl)-1-[3-(phenylmethoxymethyl)piperidin-1-yl]ethanone has a molecular weight of 375.87 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-[3-(phenylmethoxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 90505258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).