1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

C26H34N2O5 — CID 139810806

IUPAC1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(CN2CCN(CCOCCc3ccc4occc4c3)CC2)cc(OC)c1OC
InChIInChI=1S/C26H34N2O5/c1-29-24-17-21(18-25(30-2)26(24)31-3)19-28-10-8-27(9-11-28)12-15-32-13-6-20-4-5-23-22(16-20)7-14-33-23/h4-5,7,14,16-18H,6,8-13,15,19H2,1-3H3
InChIKeyDWPXFEJTEDZLMR-UHFFFAOYSA-N
MW454.57 g/mol
LogP3.84
Rot. Bonds11

About 1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine (PubChem CID 139810806) has the molecular formula C26H34N2O5 and a molecular weight of 454.57 g/mol. Its IUPAC name is 1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
PubChem CID139810806
Molecular FormulaC26H34N2O5
Molecular Weight454.57 g/mol
Exact Mass454.25
IUPAC Name1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(CN2CCN(CCOCCc3ccc4occc4c3)CC2)cc(OC)c1OC
InChIInChI=1S/C26H34N2O5/c1-29-24-17-21(18-25(30-2)26(24)31-3)19-28-10-8-27(9-11-28)12-15-32-13-6-20-4-5-23-22(16-20)7-14-33-23/h4-5,7,14,16-18H,6,8-13,15,19H2,1-3H3
InChIKeyDWPXFEJTEDZLMR-UHFFFAOYSA-N
XLogP3.84
TPSA56.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]piperidin-3-ol
CID 23107075
1-[(2,4-dimethoxyphenyl)methyl]-4-[2-(2-naphthalen-2-ylethoxy)ethyl]piperazine
CID 139810777
1-methyl-4-[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazine
CID 134105359
[4-(1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 56894959
1-[2-[2-(1-benzothiophen-6-yl)ethoxy]ethyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 139810877
1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 2874283
1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
CID 170862320
1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 828691
3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]propyl 9H-xanthene-9-carboxylate;dihydrochloride
CID 15572550
1-[2-[2-(1-benzothiophen-3-yl)ethoxy]ethyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 139810824
bis[1-[2-[2-(5-methoxy-1-benzofuran-6-yl)ethoxy]ethyl]pyrrolidin-3-yl] oxalate
CID 66588437
1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 3070229

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine (CID 139810806) is 1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine is COc1cc(CN2CCN(CCOCCc3ccc4occc4c3)CC2)cc(OC)c1OC.
What is the InChIKey of 1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The InChIKey is DWPXFEJTEDZLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O5/c1-29-24-17-21(18-25(30-2)26(24)31-3)19-28-10-8-27(9-11-28)12-15-32-13-6-20-4-5-23-22(16-20)7-14-33-23/h4-5,7,14,16-18H,6,8-13,15,19H2,1-3H3.
What are the key properties of 1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine has a molecular weight of 454.57 g/mol, XLogP of 3.84, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 139810806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).