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

C23H27N3O2 — CID 14198549

IUPAC1-(2-methoxyphenyl)-4-[[5-(2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]piperazine
SMILESCOc1ccccc1-c1ccc(CN2CCN(c3ccccc3OC)CC2)[nH]1
InChIInChI=1S/C23H27N3O2/c1-27-22-9-5-3-7-19(22)20-12-11-18(24-20)17-25-13-15-26(16-14-25)21-8-4-6-10-23(21)28-2/h3-12,24H,13-17H2,1-2H3
InChIKeyJKBRWESDCBVYOF-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.02
Rot. Bonds6

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

1-(2-methoxyphenyl)-4-[[5-(2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]piperazine (PubChem CID 14198549) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[[5-(2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[[5-(2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]piperazine
PubChem CID14198549
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-(2-methoxyphenyl)-4-[[5-(2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]piperazine
SMILESCOc1ccccc1-c1ccc(CN2CCN(c3ccccc3OC)CC2)[nH]1
InChIInChI=1S/C23H27N3O2/c1-27-22-9-5-3-7-19(22)20-12-11-18(24-20)17-25-13-15-26(16-14-25)21-8-4-6-10-23(21)28-2/h3-12,24H,13-17H2,1-2H3
InChIKeyJKBRWESDCBVYOF-UHFFFAOYSA-N
XLogP4.02
TPSA40.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[[5-(2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[[5-(2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]piperazine (CID 14198549) is 1-(2-methoxyphenyl)-4-[[5-(2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[[5-(2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[[5-(2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]piperazine is COc1ccccc1-c1ccc(CN2CCN(c3ccccc3OC)CC2)[nH]1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[[5-(2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]piperazine?
The InChIKey is JKBRWESDCBVYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-27-22-9-5-3-7-19(22)20-12-11-18(24-20)17-25-13-15-26(16-14-25)21-8-4-6-10-23(21)28-2/h3-12,24H,13-17H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[[5-(2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]piperazine?
1-(2-methoxyphenyl)-4-[[5-(2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]piperazine has a molecular weight of 377.49 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[[5-(2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]piperazine is sourced from PubChem (CID 14198549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).