benzoic acid;1,4-dimethylpiperazine

C13H20N2O2 — CID 166460840

IUPACbenzoic acid;1,4-dimethylpiperazine
SMILESCN1CCN(C)CC1.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.C6H14N2/c8-7(9)6-4-2-1-3-5-6;1-7-3-5-8(2)6-4-7/h1-5H,(H,8,9);3-6H2,1-2H3
InChIKeyQGFIQJIEUSMPNK-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.25
Rot. Bonds1

About benzoic acid;1,4-dimethylpiperazine

benzoic acid;1,4-dimethylpiperazine (PubChem CID 166460840) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is benzoic acid;1,4-dimethylpiperazine.

Molecular Properties

Compound Namebenzoic acid;1,4-dimethylpiperazine
PubChem CID166460840
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Namebenzoic acid;1,4-dimethylpiperazine
SMILESCN1CCN(C)CC1.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.C6H14N2/c8-7(9)6-4-2-1-3-5-6;1-7-3-5-8(2)6-4-7/h1-5H,(H,8,9);3-6H2,1-2H3
InChIKeyQGFIQJIEUSMPNK-UHFFFAOYSA-N
XLogP1.25
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzoic acid;1,4-dimethylpiperazine?
The IUPAC name of benzoic acid;1,4-dimethylpiperazine (CID 166460840) is benzoic acid;1,4-dimethylpiperazine.
What is the SMILES notation for benzoic acid;1,4-dimethylpiperazine?
The canonical SMILES for benzoic acid;1,4-dimethylpiperazine is CN1CCN(C)CC1.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;1,4-dimethylpiperazine?
The InChIKey is QGFIQJIEUSMPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C6H14N2/c8-7(9)6-4-2-1-3-5-6;1-7-3-5-8(2)6-4-7/h1-5H,(H,8,9);3-6H2,1-2H3.
What are the key properties of benzoic acid;1,4-dimethylpiperazine?
benzoic acid;1,4-dimethylpiperazine has a molecular weight of 236.32 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;1,4-dimethylpiperazine is sourced from PubChem (CID 166460840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).