(2R)-2-(2-bromoethyl)piperazine

C6H13BrN2 — CID 69174498

IUPAC(2R)-2-(2-bromoethyl)piperazine
SMILESBrCC[C@@H]1CNCCN1
InChIInChI=1S/C6H13BrN2/c7-2-1-6-5-8-3-4-9-6/h6,8-9H,1-5H2/t6-/m1/s1
InChIKeyKVPCUKLBPDXWJB-ZCFIWIBFSA-N
MW193.09 g/mol
LogP0.33
Rot. Bonds2

About (2R)-2-(2-bromoethyl)piperazine

(2R)-2-(2-bromoethyl)piperazine (PubChem CID 69174498) has the molecular formula C6H13BrN2 and a molecular weight of 193.09 g/mol. Its IUPAC name is (2R)-2-(2-bromoethyl)piperazine.

Molecular Properties

Compound Name(2R)-2-(2-bromoethyl)piperazine
PubChem CID69174498
Molecular FormulaC6H13BrN2
Molecular Weight193.09 g/mol
Exact Mass192.03
IUPAC Name(2R)-2-(2-bromoethyl)piperazine
SMILESBrCC[C@@H]1CNCCN1
InChIInChI=1S/C6H13BrN2/c7-2-1-6-5-8-3-4-9-6/h6,8-9H,1-5H2/t6-/m1/s1
InChIKeyKVPCUKLBPDXWJB-ZCFIWIBFSA-N
XLogP0.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.09
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bromoethyl)piperazine?
The IUPAC name of (2R)-2-(2-bromoethyl)piperazine (CID 69174498) is (2R)-2-(2-bromoethyl)piperazine.
What is the SMILES notation for (2R)-2-(2-bromoethyl)piperazine?
The canonical SMILES for (2R)-2-(2-bromoethyl)piperazine is BrCC[C@@H]1CNCCN1.
What is the InChIKey of (2R)-2-(2-bromoethyl)piperazine?
The InChIKey is KVPCUKLBPDXWJB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13BrN2/c7-2-1-6-5-8-3-4-9-6/h6,8-9H,1-5H2/t6-/m1/s1.
What are the key properties of (2R)-2-(2-bromoethyl)piperazine?
(2R)-2-(2-bromoethyl)piperazine has a molecular weight of 193.09 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bromoethyl)piperazine is sourced from PubChem (CID 69174498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).