5,7-dihydroxy-6-(1-methylpiperidin-2-yl)-2-phenylchromen-4-one

C21H21NO4 — CID 57343252

IUPAC5,7-dihydroxy-6-(1-methylpiperidin-2-yl)-2-phenylchromen-4-one
SMILESCN1CCCCC1c1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C21H21NO4/c1-22-10-6-5-9-14(22)19-15(23)12-18-20(21(19)25)16(24)11-17(26-18)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,23,25H,5-6,9-10H2,1H3
InChIKeyRVDLLAUEPCPXGP-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.03
Rot. Bonds2

About 5,7-dihydroxy-6-(1-methylpiperidin-2-yl)-2-phenylchromen-4-one

5,7-dihydroxy-6-(1-methylpiperidin-2-yl)-2-phenylchromen-4-one (PubChem CID 57343252) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 5,7-dihydroxy-6-(1-methylpiperidin-2-yl)-2-phenylchromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-6-(1-methylpiperidin-2-yl)-2-phenylchromen-4-one
PubChem CID57343252
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name5,7-dihydroxy-6-(1-methylpiperidin-2-yl)-2-phenylchromen-4-one
SMILESCN1CCCCC1c1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C21H21NO4/c1-22-10-6-5-9-14(22)19-15(23)12-18-20(21(19)25)16(24)11-17(26-18)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,23,25H,5-6,9-10H2,1H3
InChIKeyRVDLLAUEPCPXGP-UHFFFAOYSA-N
XLogP4.03
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(1-methylpiperidin-2-yl)chromen-4-one
CID 162843770
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
CID 11536318
sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174885991
formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)
CID 175123321
6-amino-5,7-dihydroxy-2-phenylchromen-4-one
CID 11242643
5,7-dihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde
CID 134156790
diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174845080
ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one
CID 145053465
5,7-dihydroxy-6-[(E)-3-methylbut-1-enyl]-2-phenylchromen-4-one
CID 167993314
(5R)-5-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]pyrrolidin-2-one
CID 162864069
CID 172853606
CID 172853606
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one
CID 163027887

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-6-(1-methylpiperidin-2-yl)-2-phenylchromen-4-one?
The IUPAC name of 5,7-dihydroxy-6-(1-methylpiperidin-2-yl)-2-phenylchromen-4-one (CID 57343252) is 5,7-dihydroxy-6-(1-methylpiperidin-2-yl)-2-phenylchromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-6-(1-methylpiperidin-2-yl)-2-phenylchromen-4-one?
The canonical SMILES for 5,7-dihydroxy-6-(1-methylpiperidin-2-yl)-2-phenylchromen-4-one is CN1CCCCC1c1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O.
What is the InChIKey of 5,7-dihydroxy-6-(1-methylpiperidin-2-yl)-2-phenylchromen-4-one?
The InChIKey is RVDLLAUEPCPXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-22-10-6-5-9-14(22)19-15(23)12-18-20(21(19)25)16(24)11-17(26-18)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,23,25H,5-6,9-10H2,1H3.
What are the key properties of 5,7-dihydroxy-6-(1-methylpiperidin-2-yl)-2-phenylchromen-4-one?
5,7-dihydroxy-6-(1-methylpiperidin-2-yl)-2-phenylchromen-4-one has a molecular weight of 351.40 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-6-(1-methylpiperidin-2-yl)-2-phenylchromen-4-one is sourced from PubChem (CID 57343252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).