[4-(2-bromophenyl)piperazin-2-yl]methanamine

C11H16BrN3 — CID 117026881

IUPAC[4-(2-bromophenyl)piperazin-2-yl]methanamine
SMILESNCC1CN(c2ccccc2Br)CCN1
InChIInChI=1S/C11H16BrN3/c12-10-3-1-2-4-11(10)15-6-5-14-9(7-13)8-15/h1-4,9,14H,5-8,13H2
InChIKeyZKWYYFZXBOFYAS-UHFFFAOYSA-N
MW270.17 g/mol
LogP1.19
Rot. Bonds2

About [4-(2-bromophenyl)piperazin-2-yl]methanamine

[4-(2-bromophenyl)piperazin-2-yl]methanamine (PubChem CID 117026881) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is [4-(2-bromophenyl)piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2-bromophenyl)piperazin-2-yl]methanamine
PubChem CID117026881
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name[4-(2-bromophenyl)piperazin-2-yl]methanamine
SMILESNCC1CN(c2ccccc2Br)CCN1
InChIInChI=1S/C11H16BrN3/c12-10-3-1-2-4-11(10)15-6-5-14-9(7-13)8-15/h1-4,9,14H,5-8,13H2
InChIKeyZKWYYFZXBOFYAS-UHFFFAOYSA-N
XLogP1.19
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-bromophenyl)piperazin-2-yl]methanamine?
The IUPAC name of [4-(2-bromophenyl)piperazin-2-yl]methanamine (CID 117026881) is [4-(2-bromophenyl)piperazin-2-yl]methanamine.
What is the SMILES notation for [4-(2-bromophenyl)piperazin-2-yl]methanamine?
The canonical SMILES for [4-(2-bromophenyl)piperazin-2-yl]methanamine is NCC1CN(c2ccccc2Br)CCN1.
What is the InChIKey of [4-(2-bromophenyl)piperazin-2-yl]methanamine?
The InChIKey is ZKWYYFZXBOFYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c12-10-3-1-2-4-11(10)15-6-5-14-9(7-13)8-15/h1-4,9,14H,5-8,13H2.
What are the key properties of [4-(2-bromophenyl)piperazin-2-yl]methanamine?
[4-(2-bromophenyl)piperazin-2-yl]methanamine has a molecular weight of 270.17 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromophenyl)piperazin-2-yl]methanamine is sourced from PubChem (CID 117026881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).