4-methylpiperazine-2,2,6,6-tetrol

C5H12N2O4 — CID 145316963

IUPAC4-methylpiperazine-2,2,6,6-tetrol
SMILESCN1CC(O)(O)NC(O)(O)C1
InChIInChI=1S/C5H12N2O4/c1-7-2-4(8,9)6-5(10,11)3-7/h6,8-11H,2-3H2,1H3
InChIKeyQUQLJOCYANYZAX-UHFFFAOYSA-N
MW164.16 g/mol
LogP-3.20
Rot. Bonds

About 4-methylpiperazine-2,2,6,6-tetrol

4-methylpiperazine-2,2,6,6-tetrol (PubChem CID 145316963) has the molecular formula C5H12N2O4 and a molecular weight of 164.16 g/mol. Its IUPAC name is 4-methylpiperazine-2,2,6,6-tetrol.

Molecular Properties

Compound Name4-methylpiperazine-2,2,6,6-tetrol
PubChem CID145316963
Molecular FormulaC5H12N2O4
Molecular Weight164.16 g/mol
Exact Mass164.08
IUPAC Name4-methylpiperazine-2,2,6,6-tetrol
SMILESCN1CC(O)(O)NC(O)(O)C1
InChIInChI=1S/C5H12N2O4/c1-7-2-4(8,9)6-5(10,11)3-7/h6,8-11H,2-3H2,1H3
InChIKeyQUQLJOCYANYZAX-UHFFFAOYSA-N
XLogP-3.20
TPSA96.19 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-3.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylpiperazine-2,2,6,6-tetrol?
The IUPAC name of 4-methylpiperazine-2,2,6,6-tetrol (CID 145316963) is 4-methylpiperazine-2,2,6,6-tetrol.
What is the SMILES notation for 4-methylpiperazine-2,2,6,6-tetrol?
The canonical SMILES for 4-methylpiperazine-2,2,6,6-tetrol is CN1CC(O)(O)NC(O)(O)C1.
What is the InChIKey of 4-methylpiperazine-2,2,6,6-tetrol?
The InChIKey is QUQLJOCYANYZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O4/c1-7-2-4(8,9)6-5(10,11)3-7/h6,8-11H,2-3H2,1H3.
What are the key properties of 4-methylpiperazine-2,2,6,6-tetrol?
4-methylpiperazine-2,2,6,6-tetrol has a molecular weight of 164.16 g/mol, XLogP of -3.20, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpiperazine-2,2,6,6-tetrol is sourced from PubChem (CID 145316963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).