3,5-dimethyl-2,6-bis(3-methylphenyl)piperidin-4-one

C21H25NO — CID 2902438

IUPAC3,5-dimethyl-2,6-bis(3-methylphenyl)piperidin-4-one
SMILESCc1cccc(C2NC(c3cccc(C)c3)C(C)C(=O)C2C)c1
InChIInChI=1S/C21H25NO/c1-13-7-5-9-17(11-13)19-15(3)21(23)16(4)20(22-19)18-10-6-8-14(2)12-18/h5-12,15-16,19-20,22H,1-4H3
InChIKeyAHESAKCLGLIIOI-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.53
Rot. Bonds2

About 3,5-dimethyl-2,6-bis(3-methylphenyl)piperidin-4-one

3,5-dimethyl-2,6-bis(3-methylphenyl)piperidin-4-one (PubChem CID 2902438) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 3,5-dimethyl-2,6-bis(3-methylphenyl)piperidin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-2,6-bis(3-methylphenyl)piperidin-4-one
PubChem CID2902438
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name3,5-dimethyl-2,6-bis(3-methylphenyl)piperidin-4-one
SMILESCc1cccc(C2NC(c3cccc(C)c3)C(C)C(=O)C2C)c1
InChIInChI=1S/C21H25NO/c1-13-7-5-9-17(11-13)19-15(3)21(23)16(4)20(22-19)18-10-6-8-14(2)12-18/h5-12,15-16,19-20,22H,1-4H3
InChIKeyAHESAKCLGLIIOI-UHFFFAOYSA-N
XLogP4.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2,6-bis(3-methylphenyl)piperidin-4-one?
The IUPAC name of 3,5-dimethyl-2,6-bis(3-methylphenyl)piperidin-4-one (CID 2902438) is 3,5-dimethyl-2,6-bis(3-methylphenyl)piperidin-4-one.
What is the SMILES notation for 3,5-dimethyl-2,6-bis(3-methylphenyl)piperidin-4-one?
The canonical SMILES for 3,5-dimethyl-2,6-bis(3-methylphenyl)piperidin-4-one is Cc1cccc(C2NC(c3cccc(C)c3)C(C)C(=O)C2C)c1.
What is the InChIKey of 3,5-dimethyl-2,6-bis(3-methylphenyl)piperidin-4-one?
The InChIKey is AHESAKCLGLIIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-13-7-5-9-17(11-13)19-15(3)21(23)16(4)20(22-19)18-10-6-8-14(2)12-18/h5-12,15-16,19-20,22H,1-4H3.
What are the key properties of 3,5-dimethyl-2,6-bis(3-methylphenyl)piperidin-4-one?
3,5-dimethyl-2,6-bis(3-methylphenyl)piperidin-4-one has a molecular weight of 307.44 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2,6-bis(3-methylphenyl)piperidin-4-one is sourced from PubChem (CID 2902438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).