1-[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-4-methylpiperidin-1-ium perchlorate

C24H28ClNO8 — CID 20998984

IUPAC1-[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-4-methylpiperidin-1-ium perchlorate
SMILESCOc1ccc2oc(-c3ccc(OC)c(OC)c3)cc(=[N+]3CCC(C)CC3)c2c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H28NO4.ClHO4/c1-16-9-11-25(12-10-16)20-15-23(17-5-7-22(27-3)24(13-17)28-4)29-21-8-6-18(26-2)14-19(20)21;2-1(3,4)5/h5-8,13-16H,9-12H2,1-4H3;(H,2,3,4,5)/q+1;/p-1/b25-20-;
InChIKeyYHASWMPZBITRCU-RKVLWQGQSA-M
MW493.94 g/mol
LogP-0.43
Rot. Bonds4

About 1-[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-4-methylpiperidin-1-ium perchlorate

1-[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-4-methylpiperidin-1-ium perchlorate (PubChem CID 20998984) has the molecular formula C24H28ClNO8 and a molecular weight of 493.94 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-4-methylpiperidin-1-ium perchlorate.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-4-methylpiperidin-1-ium perchlorate
PubChem CID20998984
Molecular FormulaC24H28ClNO8
Molecular Weight493.94 g/mol
Exact Mass493.15
IUPAC Name1-[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-4-methylpiperidin-1-ium perchlorate
SMILESCOc1ccc2oc(-c3ccc(OC)c(OC)c3)cc(=[N+]3CCC(C)CC3)c2c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H28NO4.ClHO4/c1-16-9-11-25(12-10-16)20-15-23(17-5-7-22(27-3)24(13-17)28-4)29-21-8-6-18(26-2)14-19(20)21;2-1(3,4)5/h5-8,13-16H,9-12H2,1-4H3;(H,2,3,4,5)/q+1;/p-1/b25-20-;
InChIKeyYHASWMPZBITRCU-RKVLWQGQSA-M
XLogP-0.43
TPSA136.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.94
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-4-methylpiperidin-1-ium perchlorate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]morpholin-4-ium perchlorate
CID 20998221
[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate
CID 20998974
2-(4-methoxyphenyl)-4-morpholin-4-ium-4-ylidenechromen-6-ol perchlorate
CID 20998297
1-[2-(4-methoxyphenyl)chromen-4-ylidene]piperidin-1-ium perchlorate
CID 86247105
[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate
CID 20998969
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid
CID 18593861
[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate
CID 20998205
[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-(3-methoxypropyl)azanium perchlorate
CID 20998908
[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-[3-(dimethylamino)propyl]azanium perchlorate
CID 20998909
(NZ)-N-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]hydroxylamine
CID 7730706
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
1-(4-chlorophenyl)-8-methoxy-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium
CID 45035488

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-4-methylpiperidin-1-ium perchlorate?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-4-methylpiperidin-1-ium perchlorate (CID 20998984) is 1-[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-4-methylpiperidin-1-ium perchlorate.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-4-methylpiperidin-1-ium perchlorate?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-4-methylpiperidin-1-ium perchlorate is COc1ccc2oc(-c3ccc(OC)c(OC)c3)cc(=[N+]3CCC(C)CC3)c2c1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-4-methylpiperidin-1-ium perchlorate?
The InChIKey is YHASWMPZBITRCU-RKVLWQGQSA-M. The full InChI is InChI=1S/C24H28NO4.ClHO4/c1-16-9-11-25(12-10-16)20-15-23(17-5-7-22(27-3)24(13-17)28-4)29-21-8-6-18(26-2)14-19(20)21;2-1(3,4)5/h5-8,13-16H,9-12H2,1-4H3;(H,2,3,4,5)/q+1;/p-1/b25-20-;.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-4-methylpiperidin-1-ium perchlorate?
1-[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-4-methylpiperidin-1-ium perchlorate has a molecular weight of 493.94 g/mol, XLogP of -0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-4-methylpiperidin-1-ium perchlorate is sourced from PubChem (CID 20998984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).