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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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).