1-[[5-(3-chlorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine

C22H24ClN3O — CID 14198548

IUPAC1-[[5-(3-chlorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2ccc(-c3cccc(Cl)c3)[nH]2)CC1
InChIInChI=1S/C22H24ClN3O/c1-27-22-8-3-2-7-21(22)26-13-11-25(12-14-26)16-19-9-10-20(24-19)17-5-4-6-18(23)15-17/h2-10,15,24H,11-14,16H2,1H3
InChIKeyMMOBVFCLEWJYLP-UHFFFAOYSA-N
MW381.91 g/mol
LogP4.67
Rot. Bonds5

About 1-[[5-(3-chlorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine

1-[[5-(3-chlorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 14198548) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is 1-[[5-(3-chlorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[[5-(3-chlorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID14198548
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name1-[[5-(3-chlorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2ccc(-c3cccc(Cl)c3)[nH]2)CC1
InChIInChI=1S/C22H24ClN3O/c1-27-22-8-3-2-7-21(22)26-13-11-25(12-14-26)16-19-9-10-20(24-19)17-5-4-6-18(23)15-17/h2-10,15,24H,11-14,16H2,1H3
InChIKeyMMOBVFCLEWJYLP-UHFFFAOYSA-N
XLogP4.67
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 13900359
CID 13900359
CID 14198545
CID 14198545
CID 14198560
CID 14198560
CID 44364142
CID 44364142
CID 3973224
CID 3973224
CID 14198549
CID 14198549
CID 14198550
CID 14198550
CID 660649
CID 660649
CID 14198546
CID 14198546
CID 14198547
CID 14198547
CID 14198551
CID 14198551
CID 14198554
CID 14198554

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-chlorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[[5-(3-chlorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine (CID 14198548) is 1-[[5-(3-chlorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[[5-(3-chlorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[[5-(3-chlorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(Cc2ccc(-c3cccc(Cl)c3)[nH]2)CC1.
What is the InChIKey of 1-[[5-(3-chlorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is MMOBVFCLEWJYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-27-22-8-3-2-7-21(22)26-13-11-25(12-14-26)16-19-9-10-20(24-19)17-5-4-6-18(23)15-17/h2-10,15,24H,11-14,16H2,1H3.
What are the key properties of 1-[[5-(3-chlorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine?
1-[[5-(3-chlorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 381.91 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-chlorophenyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 14198548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).