1-(chloromethyl)piperazine

C5H11ClN2 — CID 21394552

IUPAC1-(chloromethyl)piperazine
SMILESClCN1CCNCC1
InChIInChI=1S/C5H11ClN2/c6-5-8-3-1-7-2-4-8/h7H,1-5H2
InChIKeyHPFPJELCUCIFLH-UHFFFAOYSA-N
MW134.61 g/mol
LogP0.09
Rot. Bonds1

About 1-(chloromethyl)piperazine

1-(chloromethyl)piperazine (PubChem CID 21394552) has the molecular formula C5H11ClN2 and a molecular weight of 134.61 g/mol. Its IUPAC name is 1-(chloromethyl)piperazine.

Molecular Properties

Compound Name1-(chloromethyl)piperazine
PubChem CID21394552
Molecular FormulaC5H11ClN2
Molecular Weight134.61 g/mol
Exact Mass134.06
IUPAC Name1-(chloromethyl)piperazine
SMILESClCN1CCNCC1
InChIInChI=1S/C5H11ClN2/c6-5-8-3-1-7-2-4-8/h7H,1-5H2
InChIKeyHPFPJELCUCIFLH-UHFFFAOYSA-N
XLogP0.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)piperazine?
The IUPAC name of 1-(chloromethyl)piperazine (CID 21394552) is 1-(chloromethyl)piperazine.
What is the SMILES notation for 1-(chloromethyl)piperazine?
The canonical SMILES for 1-(chloromethyl)piperazine is ClCN1CCNCC1.
What is the InChIKey of 1-(chloromethyl)piperazine?
The InChIKey is HPFPJELCUCIFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClN2/c6-5-8-3-1-7-2-4-8/h7H,1-5H2.
What are the key properties of 1-(chloromethyl)piperazine?
1-(chloromethyl)piperazine has a molecular weight of 134.61 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)piperazine is sourced from PubChem (CID 21394552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).