2-(2,4-dichlorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone

C18H18Cl2N2O2 — CID 16674967

IUPAC2-(2,4-dichlorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C18H18Cl2N2O2/c19-14-5-4-13(15(20)12-14)11-17(23)22-9-6-18(24,7-10-22)16-3-1-2-8-21-16/h1-5,8,12,24H,6-7,9-11H2
InChIKeyOVHSFVFTSDZRLJ-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.44
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone

2-(2,4-dichlorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone (PubChem CID 16674967) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
PubChem CID16674967
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name2-(2,4-dichlorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C18H18Cl2N2O2/c19-14-5-4-13(15(20)12-14)11-17(23)22-9-6-18(24,7-10-22)16-3-1-2-8-21-16/h1-5,8,12,24H,6-7,9-11H2
InChIKeyOVHSFVFTSDZRLJ-UHFFFAOYSA-N
XLogP3.44
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
CID 14964763
2-(4-ethoxyphenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
CID 16668135
2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 2437970
1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 89459236
2,4-dichloro-N-[2-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethoxy]ethyl]-N,6-dimethylbenzenesulfonamide
CID 68802543
2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 43390857
2-[4-[2-(2,4-dichlorophenyl)acetyl]piperazin-1-yl]acetic acid
CID 43521392
2-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 54878843
(2,4-difluorophenyl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
CID 16668261
2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-hydroxy-4-pyridin-2-ylpiperidine-1-carbonyl)pyrazol-4-yl]acetic acid
CID 67265288
2-(2-fluorophenyl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 95807061
1-methanidyl-4-pyridin-2-ylpiperidin-4-ol
CID 21029924

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone (CID 16674967) is 2-(2,4-dichlorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone is O=C(Cc1ccc(Cl)cc1Cl)N1CCC(O)(c2ccccn2)CC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone?
The InChIKey is OVHSFVFTSDZRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c19-14-5-4-13(15(20)12-14)11-17(23)22-9-6-18(24,7-10-22)16-3-1-2-8-21-16/h1-5,8,12,24H,6-7,9-11H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone?
2-(2,4-dichlorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone has a molecular weight of 365.26 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 16674967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).