1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-5-(hydroxymethyl)piperidin-2-one

C19H17Cl2F2NO2 — CID 10237655

IUPAC1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-5-(hydroxymethyl)piperidin-2-one
SMILESO=C1CCC(CO)(Cc2ccc(F)cc2F)CN1c1c(Cl)cccc1Cl
InChIInChI=1S/C19H17Cl2F2NO2/c20-14-2-1-3-15(21)18(14)24-10-19(11-25,7-6-17(24)26)9-12-4-5-13(22)8-16(12)23/h1-5,8,25H,6-7,9-11H2
InChIKeyJAXRCIIHPCOZQO-UHFFFAOYSA-N
MW400.25 g/mol
LogP4.62
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-5-(hydroxymethyl)piperidin-2-one

1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-5-(hydroxymethyl)piperidin-2-one (PubChem CID 10237655) has the molecular formula C19H17Cl2F2NO2 and a molecular weight of 400.25 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-5-(hydroxymethyl)piperidin-2-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-5-(hydroxymethyl)piperidin-2-one
PubChem CID10237655
Molecular FormulaC19H17Cl2F2NO2
Molecular Weight400.25 g/mol
Exact Mass399.06
IUPAC Name1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-5-(hydroxymethyl)piperidin-2-one
SMILESO=C1CCC(CO)(Cc2ccc(F)cc2F)CN1c1c(Cl)cccc1Cl
InChIInChI=1S/C19H17Cl2F2NO2/c20-14-2-1-3-15(21)18(14)24-10-19(11-25,7-6-17(24)26)9-12-4-5-13(22)8-16(12)23/h1-5,8,25H,6-7,9-11H2
InChIKeyJAXRCIIHPCOZQO-UHFFFAOYSA-N
XLogP4.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.25
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-5-(hydroxymethyl)piperidin-2-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-5-(hydroxymethyl)piperidin-2-one (CID 10237655) is 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-5-(hydroxymethyl)piperidin-2-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-5-(hydroxymethyl)piperidin-2-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-5-(hydroxymethyl)piperidin-2-one is O=C1CCC(CO)(Cc2ccc(F)cc2F)CN1c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-5-(hydroxymethyl)piperidin-2-one?
The InChIKey is JAXRCIIHPCOZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F2NO2/c20-14-2-1-3-15(21)18(14)24-10-19(11-25,7-6-17(24)26)9-12-4-5-13(22)8-16(12)23/h1-5,8,25H,6-7,9-11H2.
What are the key properties of 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-5-(hydroxymethyl)piperidin-2-one?
1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-5-(hydroxymethyl)piperidin-2-one has a molecular weight of 400.25 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-5-(hydroxymethyl)piperidin-2-one is sourced from PubChem (CID 10237655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).