8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-3-phenylchromen-4-one

C23H25NO3 — CID 5345060

IUPAC8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-3-phenylchromen-4-one
SMILESCCC1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3)coc12
InChIInChI=1S/C23H25NO3/c1-2-17-10-6-7-13-24(17)14-19-21(25)12-11-18-22(26)20(15-27-23(18)19)16-8-4-3-5-9-16/h3-5,8-9,11-12,15,17,25H,2,6-7,10,13-14H2,1H3
InChIKeyCKOMMXJXPJPPKZ-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.93
Rot. Bonds4

About 8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-3-phenylchromen-4-one

8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-3-phenylchromen-4-one (PubChem CID 5345060) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-3-phenylchromen-4-one.

Molecular Properties

Compound Name8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-3-phenylchromen-4-one
PubChem CID5345060
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-3-phenylchromen-4-one
SMILESCCC1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3)coc12
InChIInChI=1S/C23H25NO3/c1-2-17-10-6-7-13-24(17)14-19-21(25)12-11-18-22(26)20(15-27-23(18)19)16-8-4-3-5-9-16/h3-5,8-9,11-12,15,17,25H,2,6-7,10,13-14H2,1H3
InChIKeyCKOMMXJXPJPPKZ-UHFFFAOYSA-N
XLogP4.93
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-3-phenylchromen-4-one?
The IUPAC name of 8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-3-phenylchromen-4-one (CID 5345060) is 8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-3-phenylchromen-4-one.
What is the SMILES notation for 8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-3-phenylchromen-4-one?
The canonical SMILES for 8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-3-phenylchromen-4-one is CCC1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3)coc12.
What is the InChIKey of 8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-3-phenylchromen-4-one?
The InChIKey is CKOMMXJXPJPPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-2-17-10-6-7-13-24(17)14-19-21(25)12-11-18-22(26)20(15-27-23(18)19)16-8-4-3-5-9-16/h3-5,8-9,11-12,15,17,25H,2,6-7,10,13-14H2,1H3.
What are the key properties of 8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-3-phenylchromen-4-one?
8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-3-phenylchromen-4-one has a molecular weight of 363.46 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-3-phenylchromen-4-one is sourced from PubChem (CID 5345060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).