1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

C23H32N2O5 — CID 2874283

IUPAC1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(CN2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1
InChIInChI=1S/C23H32N2O5/c1-26-19-10-17(11-20(14-19)27-2)15-24-6-8-25(9-7-24)16-18-12-21(28-3)23(30-5)22(13-18)29-4/h10-14H,6-9,15-16H2,1-5H3
InChIKeyRYHRLYOCSJTKNG-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.05
Rot. Bonds9

About 1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine (PubChem CID 2874283) has the molecular formula C23H32N2O5 and a molecular weight of 416.52 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
PubChem CID2874283
Molecular FormulaC23H32N2O5
Molecular Weight416.52 g/mol
Exact Mass416.23
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(CN2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1
InChIInChI=1S/C23H32N2O5/c1-26-19-10-17(11-20(14-19)27-2)15-24-6-8-25(9-7-24)16-18-12-21(28-3)23(30-5)22(13-18)29-4/h10-14H,6-9,15-16H2,1-5H3
InChIKeyRYHRLYOCSJTKNG-UHFFFAOYSA-N
XLogP3.05
TPSA52.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone;oxalic acid
CID 126476745
1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 828691
1,4,7-tris[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methyl]-1,4,7-triazonane
CID 100958899
1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 998107
oxalic acid;1-[(3,4,5-trimethoxyphenyl)methyl]azepane
CID 23724185
2-chloro-1-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 10759766
methyl 4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbodithioate;hydrochloride
CID 19983175
1-methylsulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 17366145
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 95850115
2-amino-2-methyl-1-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119896241
1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 119041063
1-[4-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]phenyl]ethanone
CID 2843183

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine (CID 2874283) is 1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine is COc1cc(CN2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The InChIKey is RYHRLYOCSJTKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5/c1-26-19-10-17(11-20(14-19)27-2)15-24-6-8-25(9-7-24)16-18-12-21(28-3)23(30-5)22(13-18)29-4/h10-14H,6-9,15-16H2,1-5H3.
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine has a molecular weight of 416.52 g/mol, XLogP of 3.05, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 2874283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).