1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine

C22H26N2O — CID 20612350

IUPAC1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine
SMILESCc1cccc(C(c2cc3ccccc3o2)N2CC(C)NCC2C)c1
InChIInChI=1S/C22H26N2O/c1-15-7-6-9-19(11-15)22(24-14-16(2)23-13-17(24)3)21-12-18-8-4-5-10-20(18)25-21/h4-12,16-17,22-23H,13-14H2,1-3H3
InChIKeySEWYDRYZTBDAHE-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.51
Rot. Bonds3

About 1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine

1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine (PubChem CID 20612350) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine
PubChem CID20612350
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine
SMILESCc1cccc(C(c2cc3ccccc3o2)N2CC(C)NCC2C)c1
InChIInChI=1S/C22H26N2O/c1-15-7-6-9-19(11-15)22(24-14-16(2)23-13-17(24)3)21-12-18-8-4-5-10-20(18)25-21/h4-12,16-17,22-23H,13-14H2,1-3H3
InChIKeySEWYDRYZTBDAHE-UHFFFAOYSA-N
XLogP4.51
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-((2-Benzofuranylmethyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 453439
(2R)-2-(1-benzofuran-5-yl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2,5-dioxo-1-piperazinyl]-N-(1-methylethyl)ethanamide
CID 11488952
(3S,6S)-6-benzhydryl-N-(1-benzofuran-5-ylmethyl)oxan-3-amine
CID 101897892
N-(1-azabicyclo[2.2.2]octan-3-yl)-7-(2-propoxyphenyl)-1-benzofuran-2-carboxamide
CID 162763894
N-(1-azabicyclo[2.2.2]octan-3-yl)-7-(2-butoxyphenyl)-1-benzofuran-2-carboxamide
CID 168269389
3-{[1-(1-Benzofuran-2-yl)ethyl]amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one
CID 454421
(3S,4R)-N-(1-benzofuran-5-ylmethyl)-4-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}phenyl)piperidin-3-amine
CID 23647861
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 4883248
(2S,3S)-N-[[5-(furan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine
CID 10522676
1-(1-Benzofuran-2-ylmethyl)-4-[[4-(2-fluoroethoxy)phenyl]methyl]piperazine
CID 44189150
N-((Benzofuran-2-yl)methyl)-N''-(4''-methoxybenzyl)piperazine
CID 46914487
N-(Benzofuran-2-ylmethyl)-N''-(4''-ethoxybenzyl)piperazine
CID 46914771

Frequently Asked Questions

What is the IUPAC name of 1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine?
The IUPAC name of 1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine (CID 20612350) is 1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine?
The canonical SMILES for 1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine is Cc1cccc(C(c2cc3ccccc3o2)N2CC(C)NCC2C)c1.
What is the InChIKey of 1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine?
The InChIKey is SEWYDRYZTBDAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-15-7-6-9-19(11-15)22(24-14-16(2)23-13-17(24)3)21-12-18-8-4-5-10-20(18)25-21/h4-12,16-17,22-23H,13-14H2,1-3H3.
What are the key properties of 1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine?
1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine has a molecular weight of 334.46 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 20612350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).