1-(2,6-dichlorophenyl)-5-(2-phenylethyl)piperidin-2-one

C19H19Cl2NO — CID 10125999

IUPAC1-(2,6-dichlorophenyl)-5-(2-phenylethyl)piperidin-2-one
SMILESO=C1CCC(CCc2ccccc2)CN1c1c(Cl)cccc1Cl
InChIInChI=1S/C19H19Cl2NO/c20-16-7-4-8-17(21)19(16)22-13-15(11-12-18(22)23)10-9-14-5-2-1-3-6-14/h1-8,15H,9-13H2
InChIKeyLAHHFRGYLMFBFL-UHFFFAOYSA-N
MW348.27 g/mol
LogP5.37
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-5-(2-phenylethyl)piperidin-2-one

1-(2,6-dichlorophenyl)-5-(2-phenylethyl)piperidin-2-one (PubChem CID 10125999) has the molecular formula C19H19Cl2NO and a molecular weight of 348.27 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-(2-phenylethyl)piperidin-2-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-(2-phenylethyl)piperidin-2-one
PubChem CID10125999
Molecular FormulaC19H19Cl2NO
Molecular Weight348.27 g/mol
Exact Mass347.08
IUPAC Name1-(2,6-dichlorophenyl)-5-(2-phenylethyl)piperidin-2-one
SMILESO=C1CCC(CCc2ccccc2)CN1c1c(Cl)cccc1Cl
InChIInChI=1S/C19H19Cl2NO/c20-16-7-4-8-17(21)19(16)22-13-15(11-12-18(22)23)10-9-14-5-2-1-3-6-14/h1-8,15H,9-13H2
InChIKeyLAHHFRGYLMFBFL-UHFFFAOYSA-N
XLogP5.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.27
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-(2-phenylethyl)piperidin-2-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-(2-phenylethyl)piperidin-2-one (CID 10125999) is 1-(2,6-dichlorophenyl)-5-(2-phenylethyl)piperidin-2-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-(2-phenylethyl)piperidin-2-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-(2-phenylethyl)piperidin-2-one is O=C1CCC(CCc2ccccc2)CN1c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-(2-phenylethyl)piperidin-2-one?
The InChIKey is LAHHFRGYLMFBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO/c20-16-7-4-8-17(21)19(16)22-13-15(11-12-18(22)23)10-9-14-5-2-1-3-6-14/h1-8,15H,9-13H2.
What are the key properties of 1-(2,6-dichlorophenyl)-5-(2-phenylethyl)piperidin-2-one?
1-(2,6-dichlorophenyl)-5-(2-phenylethyl)piperidin-2-one has a molecular weight of 348.27 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-(2-phenylethyl)piperidin-2-one is sourced from PubChem (CID 10125999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).