5-methoxy-2-[(S)-(4-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol

C26H32N2O5 — CID 29105469

IUPAC5-methoxy-2-[(S)-(4-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol
SMILESCOc1cc([C@@H](c2ccc3c(OC)cccc3c2O)N2CCN(C)CC2)cc(OC)c1OC
InChIInChI=1S/C26H32N2O5/c1-27-11-13-28(14-12-27)24(17-15-22(31-3)26(33-5)23(16-17)32-4)20-10-9-18-19(25(20)29)7-6-8-21(18)30-2/h6-10,15-16,24,29H,11-14H2,1-5H3/t24-/m0/s1
InChIKeyGCOVQPILSGBZPY-DEOSSOPVSA-N
MW452.55 g/mol
LogP3.92
Rot. Bonds7

About 5-methoxy-2-[(S)-(4-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol

5-methoxy-2-[(S)-(4-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol (PubChem CID 29105469) has the molecular formula C26H32N2O5 and a molecular weight of 452.55 g/mol. Its IUPAC name is 5-methoxy-2-[(S)-(4-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol.

Molecular Properties

Compound Name5-methoxy-2-[(S)-(4-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol
PubChem CID29105469
Molecular FormulaC26H32N2O5
Molecular Weight452.55 g/mol
Exact Mass452.23
IUPAC Name5-methoxy-2-[(S)-(4-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol
SMILESCOc1cc([C@@H](c2ccc3c(OC)cccc3c2O)N2CCN(C)CC2)cc(OC)c1OC
InChIInChI=1S/C26H32N2O5/c1-27-11-13-28(14-12-27)24(17-15-22(31-3)26(33-5)23(16-17)32-4)20-10-9-18-19(25(20)29)7-6-8-21(18)30-2/h6-10,15-16,24,29H,11-14H2,1-5H3/t24-/m0/s1
InChIKeyGCOVQPILSGBZPY-DEOSSOPVSA-N
XLogP3.92
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-[(S)-(4-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol 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

2-[(S)-(2,3-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-5-methoxynaphthalen-1-ol
CID 29105173
2,6-ditert-butyl-4-[(R)-(2,3-dimethoxyphenyl)-morpholin-4-ylmethyl]phenol
CID 1112677
2-methyl-5-[(4-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 3636452
1-[(R)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 7016984
4,5-dimethoxy-2-[(S)-morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]phenol
CID 7033134
4,5-dimethoxy-2-[morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]phenol
CID 4001213
5-[(4-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 6359466
1-[1-benzothiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 3935923
1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 4538369
8-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-7-hydroxy-4-methylbenzo[h]chromen-2-one
CID 42650679
1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperazine
CID 3765219
2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 43209293

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(S)-(4-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol?
The IUPAC name of 5-methoxy-2-[(S)-(4-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol (CID 29105469) is 5-methoxy-2-[(S)-(4-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol.
What is the SMILES notation for 5-methoxy-2-[(S)-(4-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol?
The canonical SMILES for 5-methoxy-2-[(S)-(4-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol is COc1cc([C@@H](c2ccc3c(OC)cccc3c2O)N2CCN(C)CC2)cc(OC)c1OC.
What is the InChIKey of 5-methoxy-2-[(S)-(4-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol?
The InChIKey is GCOVQPILSGBZPY-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H32N2O5/c1-27-11-13-28(14-12-27)24(17-15-22(31-3)26(33-5)23(16-17)32-4)20-10-9-18-19(25(20)29)7-6-8-21(18)30-2/h6-10,15-16,24,29H,11-14H2,1-5H3/t24-/m0/s1.
What are the key properties of 5-methoxy-2-[(S)-(4-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol?
5-methoxy-2-[(S)-(4-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol has a molecular weight of 452.55 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(S)-(4-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol is sourced from PubChem (CID 29105469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).