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

C19H17Cl2F2NO2 — CID 10194286

IUPAC1-[2,6-dichloro-4-(hydroxymethyl)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one
SMILESO=C1CCC(Cc2ccc(F)cc2F)CN1c1c(Cl)cc(CO)cc1Cl
InChIInChI=1S/C19H17Cl2F2NO2/c20-15-6-12(10-25)7-16(21)19(15)24-9-11(1-4-18(24)26)5-13-2-3-14(22)8-17(13)23/h2-3,6-8,11,25H,1,4-5,9-10H2
InChIKeyWQAPPFOWSDXUMW-UHFFFAOYSA-N
MW400.25 g/mol
LogP4.75
Rot. Bonds4

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

1-[2,6-dichloro-4-(hydroxymethyl)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one (PubChem CID 10194286) has the molecular formula C19H17Cl2F2NO2 and a molecular weight of 400.25 g/mol. Its IUPAC name is 1-[2,6-dichloro-4-(hydroxymethyl)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2,6-dichloro-4-(hydroxymethyl)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one
PubChem CID10194286
Molecular FormulaC19H17Cl2F2NO2
Molecular Weight400.25 g/mol
Exact Mass399.06
IUPAC Name1-[2,6-dichloro-4-(hydroxymethyl)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one
SMILESO=C1CCC(Cc2ccc(F)cc2F)CN1c1c(Cl)cc(CO)cc1Cl
InChIInChI=1S/C19H17Cl2F2NO2/c20-15-6-12(10-25)7-16(21)19(15)24-9-11(1-4-18(24)26)5-13-2-3-14(22)8-17(13)23/h2-3,6-8,11,25H,1,4-5,9-10H2
InChIKeyWQAPPFOWSDXUMW-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dichloro-4-(hydroxymethyl)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one?
The IUPAC name of 1-[2,6-dichloro-4-(hydroxymethyl)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one (CID 10194286) is 1-[2,6-dichloro-4-(hydroxymethyl)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one.
What is the SMILES notation for 1-[2,6-dichloro-4-(hydroxymethyl)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one?
The canonical SMILES for 1-[2,6-dichloro-4-(hydroxymethyl)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one is O=C1CCC(Cc2ccc(F)cc2F)CN1c1c(Cl)cc(CO)cc1Cl.
What is the InChIKey of 1-[2,6-dichloro-4-(hydroxymethyl)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one?
The InChIKey is WQAPPFOWSDXUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F2NO2/c20-15-6-12(10-25)7-16(21)19(15)24-9-11(1-4-18(24)26)5-13-2-3-14(22)8-17(13)23/h2-3,6-8,11,25H,1,4-5,9-10H2.
What are the key properties of 1-[2,6-dichloro-4-(hydroxymethyl)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one?
1-[2,6-dichloro-4-(hydroxymethyl)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one has a molecular weight of 400.25 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dichloro-4-(hydroxymethyl)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one is sourced from PubChem (CID 10194286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).