1-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-4-(2-methoxyphenyl)-2,2-dimethylpiperazine

C23H26FN3O — CID 70395500

IUPAC1-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-4-(2-methoxyphenyl)-2,2-dimethylpiperazine
SMILESCOc1ccccc1N1CCN(c2ccc(-c3ccc(F)cc3)[nH]2)C(C)(C)C1
InChIInChI=1S/C23H26FN3O/c1-23(2)16-26(20-6-4-5-7-21(20)28-3)14-15-27(23)22-13-12-19(25-22)17-8-10-18(24)11-9-17/h4-13,25H,14-16H2,1-3H3
InChIKeyNOPVYUPLXAWPQK-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.93
Rot. Bonds4

About 1-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-4-(2-methoxyphenyl)-2,2-dimethylpiperazine

1-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-4-(2-methoxyphenyl)-2,2-dimethylpiperazine (PubChem CID 70395500) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-4-(2-methoxyphenyl)-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-4-(2-methoxyphenyl)-2,2-dimethylpiperazine
PubChem CID70395500
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name1-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-4-(2-methoxyphenyl)-2,2-dimethylpiperazine
SMILESCOc1ccccc1N1CCN(c2ccc(-c3ccc(F)cc3)[nH]2)C(C)(C)C1
InChIInChI=1S/C23H26FN3O/c1-23(2)16-26(20-6-4-5-7-21(20)28-3)14-15-27(23)22-13-12-19(25-22)17-8-10-18(24)11-9-17/h4-13,25H,14-16H2,1-3H3
InChIKeyNOPVYUPLXAWPQK-UHFFFAOYSA-N
XLogP4.93
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine
CID 72841234
1-(2-methoxyphenyl)-4-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperazine
CID 14198545
2-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-4-methyl-1,3-thiazole
CID 70740105
1-[6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-pyridinyl]ethanol
CID 72884550
1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016937
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
1-[(2S)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyphenyl)piperazine
CID 40514838
3-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione
CID 110544530
6-fluoro-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121083473
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
3,3-diethyl-1-(2-methoxyphenyl)piperazine
CID 64918499
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 25355761

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-4-(2-methoxyphenyl)-2,2-dimethylpiperazine?
The IUPAC name of 1-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-4-(2-methoxyphenyl)-2,2-dimethylpiperazine (CID 70395500) is 1-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-4-(2-methoxyphenyl)-2,2-dimethylpiperazine.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-4-(2-methoxyphenyl)-2,2-dimethylpiperazine?
The canonical SMILES for 1-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-4-(2-methoxyphenyl)-2,2-dimethylpiperazine is COc1ccccc1N1CCN(c2ccc(-c3ccc(F)cc3)[nH]2)C(C)(C)C1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-4-(2-methoxyphenyl)-2,2-dimethylpiperazine?
The InChIKey is NOPVYUPLXAWPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-23(2)16-26(20-6-4-5-7-21(20)28-3)14-15-27(23)22-13-12-19(25-22)17-8-10-18(24)11-9-17/h4-13,25H,14-16H2,1-3H3.
What are the key properties of 1-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-4-(2-methoxyphenyl)-2,2-dimethylpiperazine?
1-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-4-(2-methoxyphenyl)-2,2-dimethylpiperazine has a molecular weight of 379.48 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-4-(2-methoxyphenyl)-2,2-dimethylpiperazine is sourced from PubChem (CID 70395500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).