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

C18H15Cl2F2NO2 — CID 10150565

IUPAC1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-hydroxymethyl]piperidin-2-one
SMILESO=C1CCC(C(O)c2ccc(F)cc2F)CN1c1c(Cl)cccc1Cl
InChIInChI=1S/C18H15Cl2F2NO2/c19-13-2-1-3-14(20)17(13)23-9-10(4-7-16(23)24)18(25)12-6-5-11(21)8-15(12)22/h1-3,5-6,8,10,18,25H,4,7,9H2
InChIKeyHABLYZLKFAFJNH-UHFFFAOYSA-N
MW386.23 g/mol
LogP4.75
Rot. Bonds3

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

1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-hydroxymethyl]piperidin-2-one (PubChem CID 10150565) has the molecular formula C18H15Cl2F2NO2 and a molecular weight of 386.23 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-hydroxymethyl]piperidin-2-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-hydroxymethyl]piperidin-2-one
PubChem CID10150565
Molecular FormulaC18H15Cl2F2NO2
Molecular Weight386.23 g/mol
Exact Mass385.04
IUPAC Name1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-hydroxymethyl]piperidin-2-one
SMILESO=C1CCC(C(O)c2ccc(F)cc2F)CN1c1c(Cl)cccc1Cl
InChIInChI=1S/C18H15Cl2F2NO2/c19-13-2-1-3-14(20)17(13)23-9-10(4-7-16(23)24)18(25)12-6-5-11(21)8-15(12)22/h1-3,5-6,8,10,18,25H,4,7,9H2
InChIKeyHABLYZLKFAFJNH-UHFFFAOYSA-N
XLogP4.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.23
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-dichlorophenyl)-5-[(2,4-difluorophenyl)-hydroxymethyl]piperidin-2-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-hydroxymethyl]piperidin-2-one (CID 10150565) is 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-hydroxymethyl]piperidin-2-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-hydroxymethyl]piperidin-2-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-hydroxymethyl]piperidin-2-one is O=C1CCC(C(O)c2ccc(F)cc2F)CN1c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-hydroxymethyl]piperidin-2-one?
The InChIKey is HABLYZLKFAFJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2F2NO2/c19-13-2-1-3-14(20)17(13)23-9-10(4-7-16(23)24)18(25)12-6-5-11(21)8-15(12)22/h1-3,5-6,8,10,18,25H,4,7,9H2.
What are the key properties of 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-hydroxymethyl]piperidin-2-one?
1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-hydroxymethyl]piperidin-2-one has a molecular weight of 386.23 g/mol, XLogP of 4.75, 3 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)-hydroxymethyl]piperidin-2-one is sourced from PubChem (CID 10150565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).