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

C25H34N2O3 — CID 10251021

IUPAC2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCOc1ccccc1N1CCN(CC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)CC1
InChIInChI=1S/C25H34N2O3/c1-17-18(2)24-20(19(3)23(17)28)10-11-25(4,30-24)16-26-12-14-27(15-13-26)21-8-6-7-9-22(21)29-5/h6-9,28H,10-16H2,1-5H3
InChIKeyHGYKXQBZRLHXPM-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.23
Rot. Bonds4

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

2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (PubChem CID 10251021) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
PubChem CID10251021
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCOc1ccccc1N1CCN(CC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)CC1
InChIInChI=1S/C25H34N2O3/c1-17-18(2)24-20(19(3)23(17)28)10-11-25(4,30-24)16-26-12-14-27(15-13-26)21-8-6-7-9-22(21)29-5/h6-9,28H,10-16H2,1-5H3
InChIKeyHGYKXQBZRLHXPM-UHFFFAOYSA-N
XLogP4.23
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10385977
1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine
CID 10475634
4-(3-(1,2-Dihydro-6-methoxynaphthalen-4-yl)-n-propyl)-1-(2-methoxyphenyl)piperazine
CID 192638
4-(3-(1,2-Dihydro-8-methoxynaphthalen-4-yl)-n-propyl)-1-(2-pyridyl)piperazine
CID 192639
1-(2-Methoxy-phenyl)-4-[4-(7-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-butyl]-piperazine
CID 10070045
1-(2-Methoxy-phenyl)-4-[3-(7-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10092041
1-[4-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-butyl]-4-(2-methoxy-phenyl)-piperazine
CID 10250792
1-[(2,5-Dimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine hydrochloride (2)
CID 91937902
1-(2-Methoxy-phenyl)-4-[3-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10715665
6-[(2-(4-(2-Methoxyphenyl)piperazin-1-yl)ethyl)(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 24754400
1-(2-Methoxy-phenyl)-4-[4-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-butyl]-piperazine
CID 10001519
1-[4-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-butyl]-4-(2-methoxy-phenyl)-piperazine
CID 11742092

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (CID 10251021) is 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is COc1ccccc1N1CCN(CC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)CC1.
What is the InChIKey of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The InChIKey is HGYKXQBZRLHXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-17-18(2)24-20(19(3)23(17)28)10-11-25(4,30-24)16-26-12-14-27(15-13-26)21-8-6-7-9-22(21)29-5/h6-9,28H,10-16H2,1-5H3.
What are the key properties of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol has a molecular weight of 410.56 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 10251021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).