1-chloro-3-methyl-2,6-diphenylpiperidin-4-one

C18H18ClNO — CID 13185093

IUPAC1-chloro-3-methyl-2,6-diphenylpiperidin-4-one
SMILESCC1C(=O)CC(c2ccccc2)N(Cl)C1c1ccccc1
InChIInChI=1S/C18H18ClNO/c1-13-17(21)12-16(14-8-4-2-5-9-14)20(19)18(13)15-10-6-3-7-11-15/h2-11,13,16,18H,12H2,1H3
InChIKeyVBNVXFOJQLSOSO-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.53
Rot. Bonds2

About 1-chloro-3-methyl-2,6-diphenylpiperidin-4-one

1-chloro-3-methyl-2,6-diphenylpiperidin-4-one (PubChem CID 13185093) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-chloro-3-methyl-2,6-diphenylpiperidin-4-one.

Molecular Properties

Compound Name1-chloro-3-methyl-2,6-diphenylpiperidin-4-one
PubChem CID13185093
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name1-chloro-3-methyl-2,6-diphenylpiperidin-4-one
SMILESCC1C(=O)CC(c2ccccc2)N(Cl)C1c1ccccc1
InChIInChI=1S/C18H18ClNO/c1-13-17(21)12-16(14-8-4-2-5-9-14)20(19)18(13)15-10-6-3-7-11-15/h2-11,13,16,18H,12H2,1H3
InChIKeyVBNVXFOJQLSOSO-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-2,6-diphenylpiperidin-4-one?
The IUPAC name of 1-chloro-3-methyl-2,6-diphenylpiperidin-4-one (CID 13185093) is 1-chloro-3-methyl-2,6-diphenylpiperidin-4-one.
What is the SMILES notation for 1-chloro-3-methyl-2,6-diphenylpiperidin-4-one?
The canonical SMILES for 1-chloro-3-methyl-2,6-diphenylpiperidin-4-one is CC1C(=O)CC(c2ccccc2)N(Cl)C1c1ccccc1.
What is the InChIKey of 1-chloro-3-methyl-2,6-diphenylpiperidin-4-one?
The InChIKey is VBNVXFOJQLSOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-13-17(21)12-16(14-8-4-2-5-9-14)20(19)18(13)15-10-6-3-7-11-15/h2-11,13,16,18H,12H2,1H3.
What are the key properties of 1-chloro-3-methyl-2,6-diphenylpiperidin-4-one?
1-chloro-3-methyl-2,6-diphenylpiperidin-4-one has a molecular weight of 299.80 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-2,6-diphenylpiperidin-4-one is sourced from PubChem (CID 13185093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).