1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-4-methylpiperazine

C17H23N3O — CID 3627141

IUPAC1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-4-methylpiperazine
SMILESCOc1ccccc1-n1cccc1CN1CCN(C)CC1
InChIInChI=1S/C17H23N3O/c1-18-10-12-19(13-11-18)14-15-6-5-9-20(15)16-7-3-4-8-17(16)21-2/h3-9H,10-14H2,1-2H3
InChIKeyXSUCDQICRNETSK-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.23
Rot. Bonds4

About 1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-4-methylpiperazine

1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-4-methylpiperazine (PubChem CID 3627141) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-4-methylpiperazine
PubChem CID3627141
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-4-methylpiperazine
SMILESCOc1ccccc1-n1cccc1CN1CCN(C)CC1
InChIInChI=1S/C17H23N3O/c1-18-10-12-19(13-11-18)14-15-6-5-9-20(15)16-7-3-4-8-17(16)21-2/h3-9H,10-14H2,1-2H3
InChIKeyXSUCDQICRNETSK-UHFFFAOYSA-N
XLogP2.23
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-4-methylpiperazine (CID 3627141) is 1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-4-methylpiperazine is COc1ccccc1-n1cccc1CN1CCN(C)CC1.
What is the InChIKey of 1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-4-methylpiperazine?
The InChIKey is XSUCDQICRNETSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-18-10-12-19(13-11-18)14-15-6-5-9-20(15)16-7-3-4-8-17(16)21-2/h3-9H,10-14H2,1-2H3.
What are the key properties of 1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-4-methylpiperazine?
1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-4-methylpiperazine has a molecular weight of 285.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 3627141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).