2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol

C24H31ClN2O2 — CID 10093268

IUPAC2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3ccc(Cl)cc3)CC1)O2
InChIInChI=1S/C24H31ClN2O2/c1-16-17(2)23-21(18(3)22(16)28)9-10-24(4,29-23)15-26-11-13-27(14-12-26)20-7-5-19(25)6-8-20/h5-8,28H,9-15H2,1-4H3
InChIKeyBPUJZMNETXTOAI-UHFFFAOYSA-N
MW414.98 g/mol
LogP4.88
Rot. Bonds3

About 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol

2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (PubChem CID 10093268) has the molecular formula C24H31ClN2O2 and a molecular weight of 414.98 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
PubChem CID10093268
Molecular FormulaC24H31ClN2O2
Molecular Weight414.98 g/mol
Exact Mass414.21
IUPAC Name2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3ccc(Cl)cc3)CC1)O2
InChIInChI=1S/C24H31ClN2O2/c1-16-17(2)23-21(18(3)22(16)28)9-10-24(4,29-23)15-26-11-13-27(14-12-26)20-7-5-19(25)6-8-20/h5-8,28H,9-15H2,1-4H3
InChIKeyBPUJZMNETXTOAI-UHFFFAOYSA-N
XLogP4.88
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-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-(4-Chlorophenyl)-1-methyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10928882
[4-(4-Chlorophenyl)piperazin-1-yl]-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanone
CID 10048250
2-[[4-(4-Methoxyphenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 9978939
2-[[4-(2-Methoxyphenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol;hydrate;hydrochloride
CID 49860847
2-[(4-Benzylpiperazin-1-yl)methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol;dihydrochloride
CID 49860849
Phenol, 2-methyl-5-(1-methylethyl)-4-(2-(4-phenyl-1-piperazinyl)ethoxy)-, monohydrochloride
CID 3025523
Phenol, 4-(2-(4-(2,3-dimethylphenyl)-1-piperazinyl)ethoxy)-2-methyl-5-(1-methylethyl)-, monohydrochloride
CID 13773465
Phenol, 4-(2-(4-(2-chlorophenyl)-1-piperazinyl)ethoxy)-2-methyl-5-(1-methylethyl)-, monohydrochloride
CID 13773467
Phenol, 4-(2-(4-(4-fluorophenyl)-1-piperazinyl)ethoxy)-2-methyl-5-(1-methylethyl)-, monohydrochloride
CID 20846524
Phenol, 2-methyl-5-(1-methylethyl)-4-(2-(4-(2-methylphenyl)-1-piperazinyl)ethoxy)-, monohydrochloride
CID 20846527
Phenol, 4-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethoxy)-2-methyl-5-(1-methylethyl)-, monohydrochloride
CID 20846536
Phenol, 2-methyl-5-(1-methylethyl)-4-(2-(methyl(2-(4-phenyl-1-piperazinyl)ethyl)amino)ethoxy)-, dihydrochloride
CID 24841428

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (CID 10093268) is 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3ccc(Cl)cc3)CC1)O2.
What is the InChIKey of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The InChIKey is BPUJZMNETXTOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O2/c1-16-17(2)23-21(18(3)22(16)28)9-10-24(4,29-23)15-26-11-13-27(14-12-26)20-7-5-19(25)6-8-20/h5-8,28H,9-15H2,1-4H3.
What are the key properties of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol has a molecular weight of 414.98 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 10093268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).