1,4-dihydroxy-1,4-dimethylpiperazine-1,4-diium

C6H16N2O2+2 — CID 123285216

IUPAC1,4-dihydroxy-1,4-dimethylpiperazine-1,4-diium
SMILESC[N+]1(O)CC[N+](C)(O)CC1
InChIInChI=1S/C6H16N2O2/c1-7(9)3-5-8(2,10)6-4-7/h9-10H,3-6H2,1-2H3/q+2
InChIKeyPFAOTXUAVKNXQW-UHFFFAOYSA-N
MW148.21 g/mol
LogP-0.33
Rot. Bonds

About 1,4-dihydroxy-1,4-dimethylpiperazine-1,4-diium

1,4-dihydroxy-1,4-dimethylpiperazine-1,4-diium (PubChem CID 123285216) has the molecular formula C6H16N2O2+2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1,4-dihydroxy-1,4-dimethylpiperazine-1,4-diium.

Molecular Properties

Compound Name1,4-dihydroxy-1,4-dimethylpiperazine-1,4-diium
PubChem CID123285216
Molecular FormulaC6H16N2O2+2
Molecular Weight148.21 g/mol
Exact Mass148.12
IUPAC Name1,4-dihydroxy-1,4-dimethylpiperazine-1,4-diium
SMILESC[N+]1(O)CC[N+](C)(O)CC1
InChIInChI=1S/C6H16N2O2/c1-7(9)3-5-8(2,10)6-4-7/h9-10H,3-6H2,1-2H3/q+2
InChIKeyPFAOTXUAVKNXQW-UHFFFAOYSA-N
XLogP-0.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroxy-1,4-dimethylpiperazine-1,4-diium?
The IUPAC name of 1,4-dihydroxy-1,4-dimethylpiperazine-1,4-diium (CID 123285216) is 1,4-dihydroxy-1,4-dimethylpiperazine-1,4-diium.
What is the SMILES notation for 1,4-dihydroxy-1,4-dimethylpiperazine-1,4-diium?
The canonical SMILES for 1,4-dihydroxy-1,4-dimethylpiperazine-1,4-diium is C[N+]1(O)CC[N+](C)(O)CC1.
What is the InChIKey of 1,4-dihydroxy-1,4-dimethylpiperazine-1,4-diium?
The InChIKey is PFAOTXUAVKNXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2/c1-7(9)3-5-8(2,10)6-4-7/h9-10H,3-6H2,1-2H3/q+2.
What are the key properties of 1,4-dihydroxy-1,4-dimethylpiperazine-1,4-diium?
1,4-dihydroxy-1,4-dimethylpiperazine-1,4-diium has a molecular weight of 148.21 g/mol, XLogP of -0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroxy-1,4-dimethylpiperazine-1,4-diium is sourced from PubChem (CID 123285216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).