2-(2,6-dimethylpiperidin-1-yl)imino-1,2-diphenylethanone

C21H24N2O — CID 23960497

IUPAC2-(2,6-dimethylpiperidin-1-yl)imino-1,2-diphenylethanone
SMILESCC1CCCC(C)N1N=C(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O/c1-16-10-9-11-17(2)23(16)22-20(18-12-5-3-6-13-18)21(24)19-14-7-4-8-15-19/h3-8,12-17H,9-11H2,1-2H3
InChIKeyRLNRICGMYNGLDO-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.54
Rot. Bonds4

About 2-(2,6-dimethylpiperidin-1-yl)imino-1,2-diphenylethanone

2-(2,6-dimethylpiperidin-1-yl)imino-1,2-diphenylethanone (PubChem CID 23960497) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-(2,6-dimethylpiperidin-1-yl)imino-1,2-diphenylethanone.

Molecular Properties

Compound Name2-(2,6-dimethylpiperidin-1-yl)imino-1,2-diphenylethanone
PubChem CID23960497
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name2-(2,6-dimethylpiperidin-1-yl)imino-1,2-diphenylethanone
SMILESCC1CCCC(C)N1N=C(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O/c1-16-10-9-11-17(2)23(16)22-20(18-12-5-3-6-13-18)21(24)19-14-7-4-8-15-19/h3-8,12-17H,9-11H2,1-2H3
InChIKeyRLNRICGMYNGLDO-UHFFFAOYSA-N
XLogP4.54
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)imino-1,2-diphenylethanone?
The IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)imino-1,2-diphenylethanone (CID 23960497) is 2-(2,6-dimethylpiperidin-1-yl)imino-1,2-diphenylethanone.
What is the SMILES notation for 2-(2,6-dimethylpiperidin-1-yl)imino-1,2-diphenylethanone?
The canonical SMILES for 2-(2,6-dimethylpiperidin-1-yl)imino-1,2-diphenylethanone is CC1CCCC(C)N1N=C(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2,6-dimethylpiperidin-1-yl)imino-1,2-diphenylethanone?
The InChIKey is RLNRICGMYNGLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-16-10-9-11-17(2)23(16)22-20(18-12-5-3-6-13-18)21(24)19-14-7-4-8-15-19/h3-8,12-17H,9-11H2,1-2H3.
What are the key properties of 2-(2,6-dimethylpiperidin-1-yl)imino-1,2-diphenylethanone?
2-(2,6-dimethylpiperidin-1-yl)imino-1,2-diphenylethanone has a molecular weight of 320.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpiperidin-1-yl)imino-1,2-diphenylethanone is sourced from PubChem (CID 23960497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).