1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-methylpiperazine

C14H21BrN2O2 — CID 763724

IUPAC1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-methylpiperazine
SMILESCOc1cc(OC)c(CN2CCN(C)CC2)cc1Br
InChIInChI=1S/C14H21BrN2O2/c1-16-4-6-17(7-5-16)10-11-8-12(15)14(19-3)9-13(11)18-2/h8-9H,4-7,10H2,1-3H3
InChIKeyHRAJUPCEEKPQAF-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.21
Rot. Bonds4

About 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-methylpiperazine

1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-methylpiperazine (PubChem CID 763724) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-methylpiperazine
PubChem CID763724
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-methylpiperazine
SMILESCOc1cc(OC)c(CN2CCN(C)CC2)cc1Br
InChIInChI=1S/C14H21BrN2O2/c1-16-4-6-17(7-5-16)10-11-8-12(15)14(19-3)9-13(11)18-2/h8-9H,4-7,10H2,1-3H3
InChIKeyHRAJUPCEEKPQAF-UHFFFAOYSA-N
XLogP2.21
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-methylpiperazine (CID 763724) is 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-methylpiperazine is COc1cc(OC)c(CN2CCN(C)CC2)cc1Br.
What is the InChIKey of 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-methylpiperazine?
The InChIKey is HRAJUPCEEKPQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-16-4-6-17(7-5-16)10-11-8-12(15)14(19-3)9-13(11)18-2/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-methylpiperazine?
1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-methylpiperazine has a molecular weight of 329.24 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 763724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).