1-[[5-(2,6-difluorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine

C22H23F2N3O — CID 14198550

IUPAC1-[[5-(2,6-difluorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2ccc(-c3c(F)cccc3F)[nH]2)CC1
InChIInChI=1S/C22H23F2N3O/c1-28-21-8-3-2-7-20(21)27-13-11-26(12-14-27)15-16-9-10-19(25-16)22-17(23)5-4-6-18(22)24/h2-10,25H,11-15H2,1H3
InChIKeyYDLINVBRACGETC-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.29
Rot. Bonds5

About 1-[[5-(2,6-difluorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine

1-[[5-(2,6-difluorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 14198550) has the molecular formula C22H23F2N3O and a molecular weight of 383.44 g/mol. Its IUPAC name is 1-[[5-(2,6-difluorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[[5-(2,6-difluorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID14198550
Molecular FormulaC22H23F2N3O
Molecular Weight383.44 g/mol
Exact Mass383.18
IUPAC Name1-[[5-(2,6-difluorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2ccc(-c3c(F)cccc3F)[nH]2)CC1
InChIInChI=1S/C22H23F2N3O/c1-28-21-8-3-2-7-20(21)27-13-11-26(12-14-27)15-16-9-10-19(25-16)22-17(23)5-4-6-18(22)24/h2-10,25H,11-15H2,1H3
InChIKeyYDLINVBRACGETC-UHFFFAOYSA-N
XLogP4.29
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2,6-difluorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[[5-(2,6-difluorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine (CID 14198550) is 1-[[5-(2,6-difluorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[[5-(2,6-difluorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[[5-(2,6-difluorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(Cc2ccc(-c3c(F)cccc3F)[nH]2)CC1.
What is the InChIKey of 1-[[5-(2,6-difluorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is YDLINVBRACGETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O/c1-28-21-8-3-2-7-20(21)27-13-11-26(12-14-27)15-16-9-10-19(25-16)22-17(23)5-4-6-18(22)24/h2-10,25H,11-15H2,1H3.
What are the key properties of 1-[[5-(2,6-difluorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine?
1-[[5-(2,6-difluorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 383.44 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2,6-difluorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 14198550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).