1-methyl-4-(2-phenyl-5-phenylmethoxy-1-benzofuran-3-yl)piperazine

C26H26N2O2 — CID 13020578

IUPAC1-methyl-4-(2-phenyl-5-phenylmethoxy-1-benzofuran-3-yl)piperazine
SMILESCN1CCN(c2c(-c3ccccc3)oc3ccc(OCc4ccccc4)cc23)CC1
InChIInChI=1S/C26H26N2O2/c1-27-14-16-28(17-15-27)25-23-18-22(29-19-20-8-4-2-5-9-20)12-13-24(23)30-26(25)21-10-6-3-7-11-21/h2-13,18H,14-17,19H2,1H3
InChIKeyASCKQQSOWITSNX-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.43
Rot. Bonds5

About 1-methyl-4-(2-phenyl-5-phenylmethoxy-1-benzofuran-3-yl)piperazine

1-methyl-4-(2-phenyl-5-phenylmethoxy-1-benzofuran-3-yl)piperazine (PubChem CID 13020578) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-methyl-4-(2-phenyl-5-phenylmethoxy-1-benzofuran-3-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(2-phenyl-5-phenylmethoxy-1-benzofuran-3-yl)piperazine
PubChem CID13020578
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name1-methyl-4-(2-phenyl-5-phenylmethoxy-1-benzofuran-3-yl)piperazine
SMILESCN1CCN(c2c(-c3ccccc3)oc3ccc(OCc4ccccc4)cc23)CC1
InChIInChI=1S/C26H26N2O2/c1-27-14-16-28(17-15-27)25-23-18-22(29-19-20-8-4-2-5-9-20)12-13-24(23)30-26(25)21-10-6-3-7-11-21/h2-13,18H,14-17,19H2,1H3
InChIKeyASCKQQSOWITSNX-UHFFFAOYSA-N
XLogP5.43
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
CID 696231
2-phenyl-5-phenylmethoxy-3-(3,4,5-trimethoxyphenyl)-1-benzofuran
CID 102296681
5-[(4-bromophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid
CID 1185464
1-methyl-4-[(7-phenylmethoxynaphthalen-2-yl)methyl]piperazine
CID 138106389
1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)cyclopropane-1-carbonitrile
CID 170356731
1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]-5-phenylmethoxypyridin-4-one
CID 10863568
1-(4-bromo-2-methyl-6-phenylmethoxyphenyl)-4-methylpiperazine
CID 150465716
1-methyl-4-(2-phenylmethoxyphenyl)piperazine
CID 58996693
2-phenyl-5-propoxy-1-benzofuran-3-carboxylic acid
CID 142773604
5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
CID 70688323
[3-(dimethylamino)pyrrolidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone
CID 163379260
N-methyl-3-[(4-methylpiperazin-1-yl)methyl]-N-(4-phenylmethoxyphenyl)aniline
CID 118954533

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-phenyl-5-phenylmethoxy-1-benzofuran-3-yl)piperazine?
The IUPAC name of 1-methyl-4-(2-phenyl-5-phenylmethoxy-1-benzofuran-3-yl)piperazine (CID 13020578) is 1-methyl-4-(2-phenyl-5-phenylmethoxy-1-benzofuran-3-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(2-phenyl-5-phenylmethoxy-1-benzofuran-3-yl)piperazine?
The canonical SMILES for 1-methyl-4-(2-phenyl-5-phenylmethoxy-1-benzofuran-3-yl)piperazine is CN1CCN(c2c(-c3ccccc3)oc3ccc(OCc4ccccc4)cc23)CC1.
What is the InChIKey of 1-methyl-4-(2-phenyl-5-phenylmethoxy-1-benzofuran-3-yl)piperazine?
The InChIKey is ASCKQQSOWITSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-27-14-16-28(17-15-27)25-23-18-22(29-19-20-8-4-2-5-9-20)12-13-24(23)30-26(25)21-10-6-3-7-11-21/h2-13,18H,14-17,19H2,1H3.
What are the key properties of 1-methyl-4-(2-phenyl-5-phenylmethoxy-1-benzofuran-3-yl)piperazine?
1-methyl-4-(2-phenyl-5-phenylmethoxy-1-benzofuran-3-yl)piperazine has a molecular weight of 398.51 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-phenyl-5-phenylmethoxy-1-benzofuran-3-yl)piperazine is sourced from PubChem (CID 13020578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).