5-butan-2-yl-1-[4-(difluoromethoxy)phenyl]-2-methylpiperazine

C16H24F2N2O — CID 64938260

IUPAC5-butan-2-yl-1-[4-(difluoromethoxy)phenyl]-2-methylpiperazine
SMILESCCC(C)C1CN(c2ccc(OC(F)F)cc2)C(C)CN1
InChIInChI=1S/C16H24F2N2O/c1-4-11(2)15-10-20(12(3)9-19-15)13-5-7-14(8-6-13)21-16(17)18/h5-8,11-12,15-16,19H,4,9-10H2,1-3H3
InChIKeyTWVOJAKSANOMNY-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.50
Rot. Bonds5

About 5-butan-2-yl-1-[4-(difluoromethoxy)phenyl]-2-methylpiperazine

5-butan-2-yl-1-[4-(difluoromethoxy)phenyl]-2-methylpiperazine (PubChem CID 64938260) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 5-butan-2-yl-1-[4-(difluoromethoxy)phenyl]-2-methylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-[4-(difluoromethoxy)phenyl]-2-methylpiperazine
PubChem CID64938260
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name5-butan-2-yl-1-[4-(difluoromethoxy)phenyl]-2-methylpiperazine
SMILESCCC(C)C1CN(c2ccc(OC(F)F)cc2)C(C)CN1
InChIInChI=1S/C16H24F2N2O/c1-4-11(2)15-10-20(12(3)9-19-15)13-5-7-14(8-6-13)21-16(17)18/h5-8,11-12,15-16,19H,4,9-10H2,1-3H3
InChIKeyTWVOJAKSANOMNY-UHFFFAOYSA-N
XLogP3.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-2-methyl-5-propan-2-ylpiperazine
CID 64938447
5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine
CID 64936737
5-butan-2-yl-2-methyl-1-(5-methyl-3-pyridinyl)piperazine
CID 107586926
5-butan-2-yl-1-(2-tert-butylphenyl)-2-methylpiperazine
CID 64936488
2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline
CID 106760888
5-butan-2-yl-1-(2-chloro-6-methylphenyl)-2-methylpiperazine
CID 66254143
5-butan-2-yl-1-(2,5-dibromophenyl)-2-methylpiperazine
CID 64939257
1-(5-bromo-4-fluoro-2-methylphenyl)-5-butan-2-yl-2-methylpiperazine
CID 107594278
1-(4-ethoxyphenyl)-2,5-dimethylpiperazine
CID 64951879
1-(4-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64930366
5-butan-2-yl-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylpiperazine
CID 102879595
5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine
CID 107854034

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-[4-(difluoromethoxy)phenyl]-2-methylpiperazine?
The IUPAC name of 5-butan-2-yl-1-[4-(difluoromethoxy)phenyl]-2-methylpiperazine (CID 64938260) is 5-butan-2-yl-1-[4-(difluoromethoxy)phenyl]-2-methylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-[4-(difluoromethoxy)phenyl]-2-methylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-[4-(difluoromethoxy)phenyl]-2-methylpiperazine is CCC(C)C1CN(c2ccc(OC(F)F)cc2)C(C)CN1.
What is the InChIKey of 5-butan-2-yl-1-[4-(difluoromethoxy)phenyl]-2-methylpiperazine?
The InChIKey is TWVOJAKSANOMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-4-11(2)15-10-20(12(3)9-19-15)13-5-7-14(8-6-13)21-16(17)18/h5-8,11-12,15-16,19H,4,9-10H2,1-3H3.
What are the key properties of 5-butan-2-yl-1-[4-(difluoromethoxy)phenyl]-2-methylpiperazine?
5-butan-2-yl-1-[4-(difluoromethoxy)phenyl]-2-methylpiperazine has a molecular weight of 298.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-[4-(difluoromethoxy)phenyl]-2-methylpiperazine is sourced from PubChem (CID 64938260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).