2-(4,4-dimethylpiperidin-1-yl)-8-ethenyl-6-methylchromen-4-one

C19H23NO2 — CID 175870289

IUPAC2-(4,4-dimethylpiperidin-1-yl)-8-ethenyl-6-methylchromen-4-one
SMILESC=Cc1cc(C)cc2c(=O)cc(N3CCC(C)(C)CC3)oc12
InChIInChI=1S/C19H23NO2/c1-5-14-10-13(2)11-15-16(21)12-17(22-18(14)15)20-8-6-19(3,4)7-9-20/h5,10-12H,1,6-9H2,2-4H3
InChIKeyWZSQCQMSSYOSSD-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.37
Rot. Bonds2

About 2-(4,4-dimethylpiperidin-1-yl)-8-ethenyl-6-methylchromen-4-one

2-(4,4-dimethylpiperidin-1-yl)-8-ethenyl-6-methylchromen-4-one (PubChem CID 175870289) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)-8-ethenyl-6-methylchromen-4-one.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)-8-ethenyl-6-methylchromen-4-one
PubChem CID175870289
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)-8-ethenyl-6-methylchromen-4-one
SMILESC=Cc1cc(C)cc2c(=O)cc(N3CCC(C)(C)CC3)oc12
InChIInChI=1S/C19H23NO2/c1-5-14-10-13(2)11-15-16(21)12-17(22-18(14)15)20-8-6-19(3,4)7-9-20/h5,10-12H,1,6-9H2,2-4H3
InChIKeyWZSQCQMSSYOSSD-UHFFFAOYSA-N
XLogP4.37
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-8-ethenyl-6-methylchromen-4-one?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-8-ethenyl-6-methylchromen-4-one (CID 175870289) is 2-(4,4-dimethylpiperidin-1-yl)-8-ethenyl-6-methylchromen-4-one.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)-8-ethenyl-6-methylchromen-4-one?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)-8-ethenyl-6-methylchromen-4-one is C=Cc1cc(C)cc2c(=O)cc(N3CCC(C)(C)CC3)oc12.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)-8-ethenyl-6-methylchromen-4-one?
The InChIKey is WZSQCQMSSYOSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-5-14-10-13(2)11-15-16(21)12-17(22-18(14)15)20-8-6-19(3,4)7-9-20/h5,10-12H,1,6-9H2,2-4H3.
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)-8-ethenyl-6-methylchromen-4-one?
2-(4,4-dimethylpiperidin-1-yl)-8-ethenyl-6-methylchromen-4-one has a molecular weight of 297.40 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidin-1-yl)-8-ethenyl-6-methylchromen-4-one is sourced from PubChem (CID 175870289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).