1-fluoro-2,4-dimethylpiperazine

C6H13FN2 — CID 145049655

IUPAC1-fluoro-2,4-dimethylpiperazine
SMILESCC1CN(C)CCN1F
InChIInChI=1S/C6H13FN2/c1-6-5-8(2)3-4-9(6)7/h6H,3-5H2,1-2H3
InChIKeyXXCZEAXBEYVAML-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.51
Rot. Bonds

About 1-fluoro-2,4-dimethylpiperazine

1-fluoro-2,4-dimethylpiperazine (PubChem CID 145049655) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is 1-fluoro-2,4-dimethylpiperazine.

Molecular Properties

Compound Name1-fluoro-2,4-dimethylpiperazine
PubChem CID145049655
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name1-fluoro-2,4-dimethylpiperazine
SMILESCC1CN(C)CCN1F
InChIInChI=1S/C6H13FN2/c1-6-5-8(2)3-4-9(6)7/h6H,3-5H2,1-2H3
InChIKeyXXCZEAXBEYVAML-UHFFFAOYSA-N
XLogP0.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,4-Trimethylpiperazine
CID 98933
(2R)-1,2,4-Trimethylpiperazine
CID 12659078
1,4-Piperazinediethanamine, alpha,beta'-dimethyl-
CID 3086046
1-(2-Fluoropropyl)-4-propan-2-ylpiperazine
CID 58366831
1-Fluoro-4-methylpiperazine
CID 88211611
1,4-Dimethyl-2-(trifluoromethyl)piperazine
CID 89212727
4-Fluoro-1-methyl-1-propylpiperazin-1-ium
CID 123207474
(2S)-4-(2-fluoropropyl)-2-methyl-1-propan-2-ylpiperazine
CID 124098816
(2R)-4-(2-fluoropropyl)-2-methyl-1-propan-2-ylpiperazine
CID 124098821
4-(2-Fluoroethyl)-1,2-dimethylpiperazine
CID 126994663
1-Fluoro-4-propylpiperazine
CID 129093607
1-(2-Fluoroethyl)-2,4-dimethylpiperazine
CID 130716830

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,4-dimethylpiperazine?
The IUPAC name of 1-fluoro-2,4-dimethylpiperazine (CID 145049655) is 1-fluoro-2,4-dimethylpiperazine.
What is the SMILES notation for 1-fluoro-2,4-dimethylpiperazine?
The canonical SMILES for 1-fluoro-2,4-dimethylpiperazine is CC1CN(C)CCN1F.
What is the InChIKey of 1-fluoro-2,4-dimethylpiperazine?
The InChIKey is XXCZEAXBEYVAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2/c1-6-5-8(2)3-4-9(6)7/h6H,3-5H2,1-2H3.
What are the key properties of 1-fluoro-2,4-dimethylpiperazine?
1-fluoro-2,4-dimethylpiperazine has a molecular weight of 132.18 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,4-dimethylpiperazine is sourced from PubChem (CID 145049655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).