1-(2-methoxyphenyl)-4-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperazine

C22H25N3O — CID 14198545

IUPAC1-(2-methoxyphenyl)-4-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperazine
SMILESCOc1ccccc1N1CCN(Cc2ccc(-c3ccccc3)[nH]2)CC1
InChIInChI=1S/C22H25N3O/c1-26-22-10-6-5-9-21(22)25-15-13-24(14-16-25)17-19-11-12-20(23-19)18-7-3-2-4-8-18/h2-12,23H,13-17H2,1H3
InChIKeyMRUAJTDSBABAGD-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.01
Rot. Bonds5

About 1-(2-methoxyphenyl)-4-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperazine

1-(2-methoxyphenyl)-4-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperazine (PubChem CID 14198545) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperazine
PubChem CID14198545
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-(2-methoxyphenyl)-4-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperazine
SMILESCOc1ccccc1N1CCN(Cc2ccc(-c3ccccc3)[nH]2)CC1
InChIInChI=1S/C22H25N3O/c1-26-22-10-6-5-9-21(22)25-15-13-24(14-16-25)17-19-11-12-20(23-19)18-7-3-2-4-8-18/h2-12,23H,13-17H2,1H3
InChIKeyMRUAJTDSBABAGD-UHFFFAOYSA-N
XLogP4.01
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 8687109
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 4826311
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1375666
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 1318256
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
1-(2-methoxyphenyl)-4-[(5-phenyl-3-pyridinyl)methyl]piperazine;1-(2-methoxyphenyl)piperazine;dihydrate;trihydrochloride
CID 159209480
1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763703
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464
1-[(3-ethynylazulen-1-yl)methyl]-4-(2-methoxyphenyl)piperazine
CID 71461481
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole
CID 166277175

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperazine (CID 14198545) is 1-(2-methoxyphenyl)-4-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperazine is COc1ccccc1N1CCN(Cc2ccc(-c3ccccc3)[nH]2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperazine?
The InChIKey is MRUAJTDSBABAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-26-22-10-6-5-9-21(22)25-15-13-24(14-16-25)17-19-11-12-20(23-19)18-7-3-2-4-8-18/h2-12,23H,13-17H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperazine?
1-(2-methoxyphenyl)-4-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperazine has a molecular weight of 347.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperazine is sourced from PubChem (CID 14198545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).