1-[(4-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine

C18H21BrN2O — CID 1115340

IUPAC1-[(4-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C18H21BrN2O/c1-22-18-5-3-2-4-17(18)21-12-10-20(11-13-21)14-15-6-8-16(19)9-7-15/h2-9H,10-14H2,1H3
InChIKeyFJVYRIPCWAORAE-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.78
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine

1-[(4-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 1115340) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID1115340
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name1-[(4-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C18H21BrN2O/c1-22-18-5-3-2-4-17(18)21-12-10-20(11-13-21)14-15-6-8-16(19)9-7-15/h2-9H,10-14H2,1H3
InChIKeyFJVYRIPCWAORAE-UHFFFAOYSA-N
XLogP3.78
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine (CID 1115340) is 1-[(4-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is FJVYRIPCWAORAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-22-18-5-3-2-4-17(18)21-12-10-20(11-13-21)14-15-6-8-16(19)9-7-15/h2-9H,10-14H2,1H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine?
1-[(4-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 361.28 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 1115340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).