1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine

C18H24BrN3O — CID 1360515

IUPAC1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine
SMILESCOc1ccc(Br)cc1CN1CCN(Cc2cccn2C)CC1
InChIInChI=1S/C18H24BrN3O/c1-20-7-3-4-17(20)14-22-10-8-21(9-11-22)13-15-12-16(19)5-6-18(15)23-2/h3-7,12H,8-11,13-14H2,1-2H3
InChIKeyWSDYWNMPQWOBGT-UHFFFAOYSA-N
MW378.31 g/mol
LogP3.11
Rot. Bonds5

About 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine

1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine (PubChem CID 1360515) has the molecular formula C18H24BrN3O and a molecular weight of 378.31 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine
PubChem CID1360515
Molecular FormulaC18H24BrN3O
Molecular Weight378.31 g/mol
Exact Mass377.11
IUPAC Name1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine
SMILESCOc1ccc(Br)cc1CN1CCN(Cc2cccn2C)CC1
InChIInChI=1S/C18H24BrN3O/c1-20-7-3-4-17(20)14-22-10-8-21(9-11-22)13-15-12-16(19)5-6-18(15)23-2/h3-7,12H,8-11,13-14H2,1-2H3
InChIKeyWSDYWNMPQWOBGT-UHFFFAOYSA-N
XLogP3.11
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine (CID 1360515) is 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine is COc1ccc(Br)cc1CN1CCN(Cc2cccn2C)CC1.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine?
The InChIKey is WSDYWNMPQWOBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3O/c1-20-7-3-4-17(20)14-22-10-8-21(9-11-22)13-15-12-16(19)5-6-18(15)23-2/h3-7,12H,8-11,13-14H2,1-2H3.
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine?
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine has a molecular weight of 378.31 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine is sourced from PubChem (CID 1360515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).