1-benzylpiperazine;hydrochloride

C11H17ClN2 — CID 2756653

IUPAC1-benzylpiperazine;hydrochloride
SMILESCl.c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C11H16N2.ClH/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;/h1-5,12H,6-10H2;1H
InChIKeyHRSFWIYFGGDGQO-UHFFFAOYSA-N
MW212.72 g/mol
LogP1.51
Rot. Bonds2

About 1-benzylpiperazine;hydrochloride

1-benzylpiperazine;hydrochloride (PubChem CID 2756653) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 1-benzylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-benzylpiperazine;hydrochloride
PubChem CID2756653
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name1-benzylpiperazine;hydrochloride
SMILESCl.c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C11H16N2.ClH/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;/h1-5,12H,6-10H2;1H
InChIKeyHRSFWIYFGGDGQO-UHFFFAOYSA-N
XLogP1.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzylpiperazine;hydrochloride?
The IUPAC name of 1-benzylpiperazine;hydrochloride (CID 2756653) is 1-benzylpiperazine;hydrochloride.
What is the SMILES notation for 1-benzylpiperazine;hydrochloride?
The canonical SMILES for 1-benzylpiperazine;hydrochloride is Cl.c1ccc(CN2CCNCC2)cc1.
What is the InChIKey of 1-benzylpiperazine;hydrochloride?
The InChIKey is HRSFWIYFGGDGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.ClH/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;/h1-5,12H,6-10H2;1H.
What are the key properties of 1-benzylpiperazine;hydrochloride?
1-benzylpiperazine;hydrochloride has a molecular weight of 212.72 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpiperazine;hydrochloride is sourced from PubChem (CID 2756653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).