1-(3-bromophenyl)-2-methyl-4-(oxetan-3-yl)piperazine

C14H19BrN2O — CID 170087545

IUPAC1-(3-bromophenyl)-2-methyl-4-(oxetan-3-yl)piperazine
SMILESCC1CN(C2COC2)CCN1c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O/c1-11-8-16(14-9-18-10-14)5-6-17(11)13-4-2-3-12(15)7-13/h2-4,7,11,14H,5-6,8-10H2,1H3
InChIKeyJHLIZTQAAGDRLK-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.36
Rot. Bonds2

About 1-(3-bromophenyl)-2-methyl-4-(oxetan-3-yl)piperazine

1-(3-bromophenyl)-2-methyl-4-(oxetan-3-yl)piperazine (PubChem CID 170087545) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-methyl-4-(oxetan-3-yl)piperazine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-methyl-4-(oxetan-3-yl)piperazine
PubChem CID170087545
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-(3-bromophenyl)-2-methyl-4-(oxetan-3-yl)piperazine
SMILESCC1CN(C2COC2)CCN1c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O/c1-11-8-16(14-9-18-10-14)5-6-17(11)13-4-2-3-12(15)7-13/h2-4,7,11,14H,5-6,8-10H2,1H3
InChIKeyJHLIZTQAAGDRLK-UHFFFAOYSA-N
XLogP2.36
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromophenyl)-2-methyl-4-(oxetan-3-yl)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-(3-bromophenyl)-2-methyl-4-(oxetan-3-yl)piperazine?
The IUPAC name of 1-(3-bromophenyl)-2-methyl-4-(oxetan-3-yl)piperazine (CID 170087545) is 1-(3-bromophenyl)-2-methyl-4-(oxetan-3-yl)piperazine.
What is the SMILES notation for 1-(3-bromophenyl)-2-methyl-4-(oxetan-3-yl)piperazine?
The canonical SMILES for 1-(3-bromophenyl)-2-methyl-4-(oxetan-3-yl)piperazine is CC1CN(C2COC2)CCN1c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-methyl-4-(oxetan-3-yl)piperazine?
The InChIKey is JHLIZTQAAGDRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-11-8-16(14-9-18-10-14)5-6-17(11)13-4-2-3-12(15)7-13/h2-4,7,11,14H,5-6,8-10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-methyl-4-(oxetan-3-yl)piperazine?
1-(3-bromophenyl)-2-methyl-4-(oxetan-3-yl)piperazine has a molecular weight of 311.22 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-methyl-4-(oxetan-3-yl)piperazine is sourced from PubChem (CID 170087545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).