5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine

C17H27FN2 — CID 64848062

IUPAC5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine
SMILESCCC(C)C1CN(Cc2ccccc2F)C(C)(C)CN1
InChIInChI=1S/C17H27FN2/c1-5-13(2)16-11-20(17(3,4)12-19-16)10-14-8-6-7-9-15(14)18/h6-9,13,16,19H,5,10-12H2,1-4H3
InChIKeyZKIQOCBZQVGSFX-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.42
Rot. Bonds4

About 5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine

5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine (PubChem CID 64848062) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine
PubChem CID64848062
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine
SMILESCCC(C)C1CN(Cc2ccccc2F)C(C)(C)CN1
InChIInChI=1S/C17H27FN2/c1-5-13(2)16-11-20(17(3,4)12-19-16)10-14-8-6-7-9-15(14)18/h6-9,13,16,19H,5,10-12H2,1-4H3
InChIKeyZKIQOCBZQVGSFX-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine?
The IUPAC name of 5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine (CID 64848062) is 5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine is CCC(C)C1CN(Cc2ccccc2F)C(C)(C)CN1.
What is the InChIKey of 5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine?
The InChIKey is ZKIQOCBZQVGSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-5-13(2)16-11-20(17(3,4)12-19-16)10-14-8-6-7-9-15(14)18/h6-9,13,16,19H,5,10-12H2,1-4H3.
What are the key properties of 5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine?
5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine has a molecular weight of 278.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine is sourced from PubChem (CID 64848062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).