1-chloro-2,6-bis(2-chlorophenyl)-3-methylpiperidin-4-one

C18H16Cl3NO — CID 13185100

IUPAC1-chloro-2,6-bis(2-chlorophenyl)-3-methylpiperidin-4-one
SMILESCC1C(=O)CC(c2ccccc2Cl)N(Cl)C1c1ccccc1Cl
InChIInChI=1S/C18H16Cl3NO/c1-11-17(23)10-16(12-6-2-4-8-14(12)19)22(21)18(11)13-7-3-5-9-15(13)20/h2-9,11,16,18H,10H2,1H3
InChIKeyDLODVWXZVTXKKT-UHFFFAOYSA-N
MW368.69 g/mol
LogP5.84
Rot. Bonds2

About 1-chloro-2,6-bis(2-chlorophenyl)-3-methylpiperidin-4-one

1-chloro-2,6-bis(2-chlorophenyl)-3-methylpiperidin-4-one (PubChem CID 13185100) has the molecular formula C18H16Cl3NO and a molecular weight of 368.69 g/mol. Its IUPAC name is 1-chloro-2,6-bis(2-chlorophenyl)-3-methylpiperidin-4-one.

Molecular Properties

Compound Name1-chloro-2,6-bis(2-chlorophenyl)-3-methylpiperidin-4-one
PubChem CID13185100
Molecular FormulaC18H16Cl3NO
Molecular Weight368.69 g/mol
Exact Mass367.03
IUPAC Name1-chloro-2,6-bis(2-chlorophenyl)-3-methylpiperidin-4-one
SMILESCC1C(=O)CC(c2ccccc2Cl)N(Cl)C1c1ccccc1Cl
InChIInChI=1S/C18H16Cl3NO/c1-11-17(23)10-16(12-6-2-4-8-14(12)19)22(21)18(11)13-7-3-5-9-15(13)20/h2-9,11,16,18H,10H2,1H3
InChIKeyDLODVWXZVTXKKT-UHFFFAOYSA-N
XLogP5.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.69
LogP ≤ 55.84
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-2,6-bis(2-chlorophenyl)-3-methylpiperidin-4-one?
The IUPAC name of 1-chloro-2,6-bis(2-chlorophenyl)-3-methylpiperidin-4-one (CID 13185100) is 1-chloro-2,6-bis(2-chlorophenyl)-3-methylpiperidin-4-one.
What is the SMILES notation for 1-chloro-2,6-bis(2-chlorophenyl)-3-methylpiperidin-4-one?
The canonical SMILES for 1-chloro-2,6-bis(2-chlorophenyl)-3-methylpiperidin-4-one is CC1C(=O)CC(c2ccccc2Cl)N(Cl)C1c1ccccc1Cl.
What is the InChIKey of 1-chloro-2,6-bis(2-chlorophenyl)-3-methylpiperidin-4-one?
The InChIKey is DLODVWXZVTXKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl3NO/c1-11-17(23)10-16(12-6-2-4-8-14(12)19)22(21)18(11)13-7-3-5-9-15(13)20/h2-9,11,16,18H,10H2,1H3.
What are the key properties of 1-chloro-2,6-bis(2-chlorophenyl)-3-methylpiperidin-4-one?
1-chloro-2,6-bis(2-chlorophenyl)-3-methylpiperidin-4-one has a molecular weight of 368.69 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,6-bis(2-chlorophenyl)-3-methylpiperidin-4-one is sourced from PubChem (CID 13185100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).