2-benzylpiperazine

C11H16N2 — CID 559033

IUPAC2-benzylpiperazine
SMILESc1ccc(CC2CNCCN2)cc1
InChIInChI=1S/C11H16N2/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-5,11-13H,6-9H2
InChIKeyRITMXTLCKYLIKW-UHFFFAOYSA-N
MW176.26 g/mol
LogP0.79
Rot. Bonds2

About 2-benzylpiperazine

2-benzylpiperazine (PubChem CID 559033) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-benzylpiperazine.

Molecular Properties

Compound Name2-benzylpiperazine
PubChem CID559033
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-benzylpiperazine
SMILESc1ccc(CC2CNCCN2)cc1
InChIInChI=1S/C11H16N2/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-5,11-13H,6-9H2
InChIKeyRITMXTLCKYLIKW-UHFFFAOYSA-N
XLogP0.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylpiperazine?
The IUPAC name of 2-benzylpiperazine (CID 559033) is 2-benzylpiperazine.
What is the SMILES notation for 2-benzylpiperazine?
The canonical SMILES for 2-benzylpiperazine is c1ccc(CC2CNCCN2)cc1.
What is the InChIKey of 2-benzylpiperazine?
The InChIKey is RITMXTLCKYLIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-5,11-13H,6-9H2.
What are the key properties of 2-benzylpiperazine?
2-benzylpiperazine has a molecular weight of 176.26 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylpiperazine is sourced from PubChem (CID 559033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).