2,5-dimethyl-1-nitropiperazine

C6H13N3O2 — CID 71434785

IUPAC2,5-dimethyl-1-nitropiperazine
SMILESCC1CN([N+](=O)[O-])C(C)CN1
InChIInChI=1S/C6H13N3O2/c1-5-4-8(9(10)11)6(2)3-7-5/h5-7H,3-4H2,1-2H3
InChIKeyFKMRRGZEZRXMMZ-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.14
Rot. Bonds1

About 2,5-dimethyl-1-nitropiperazine

2,5-dimethyl-1-nitropiperazine (PubChem CID 71434785) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2,5-dimethyl-1-nitropiperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-nitropiperazine
PubChem CID71434785
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name2,5-dimethyl-1-nitropiperazine
SMILESCC1CN([N+](=O)[O-])C(C)CN1
InChIInChI=1S/C6H13N3O2/c1-5-4-8(9(10)11)6(2)3-7-5/h5-7H,3-4H2,1-2H3
InChIKeyFKMRRGZEZRXMMZ-UHFFFAOYSA-N
XLogP-0.14
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-nitropiperazine?
The IUPAC name of 2,5-dimethyl-1-nitropiperazine (CID 71434785) is 2,5-dimethyl-1-nitropiperazine.
What is the SMILES notation for 2,5-dimethyl-1-nitropiperazine?
The canonical SMILES for 2,5-dimethyl-1-nitropiperazine is CC1CN([N+](=O)[O-])C(C)CN1.
What is the InChIKey of 2,5-dimethyl-1-nitropiperazine?
The InChIKey is FKMRRGZEZRXMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-5-4-8(9(10)11)6(2)3-7-5/h5-7H,3-4H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-nitropiperazine?
2,5-dimethyl-1-nitropiperazine has a molecular weight of 159.19 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-nitropiperazine is sourced from PubChem (CID 71434785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).