5-butan-2-yl-2-methyl-1-[2-(trifluoromethyl)phenyl]piperazine

C16H23F3N2 — CID 64951883

IUPAC5-butan-2-yl-2-methyl-1-[2-(trifluoromethyl)phenyl]piperazine
SMILESCCC(C)C1CN(c2ccccc2C(F)(F)F)C(C)CN1
InChIInChI=1S/C16H23F3N2/c1-4-11(2)14-10-21(12(3)9-20-14)15-8-6-5-7-13(15)16(17,18)19/h5-8,11-12,14,20H,4,9-10H2,1-3H3
InChIKeyMDRYMRIEZJAGOX-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.92
Rot. Bonds3

About 5-butan-2-yl-2-methyl-1-[2-(trifluoromethyl)phenyl]piperazine

5-butan-2-yl-2-methyl-1-[2-(trifluoromethyl)phenyl]piperazine (PubChem CID 64951883) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 5-butan-2-yl-2-methyl-1-[2-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-methyl-1-[2-(trifluoromethyl)phenyl]piperazine
PubChem CID64951883
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name5-butan-2-yl-2-methyl-1-[2-(trifluoromethyl)phenyl]piperazine
SMILESCCC(C)C1CN(c2ccccc2C(F)(F)F)C(C)CN1
InChIInChI=1S/C16H23F3N2/c1-4-11(2)14-10-21(12(3)9-20-14)15-8-6-5-7-13(15)16(17,18)19/h5-8,11-12,14,20H,4,9-10H2,1-3H3
InChIKeyMDRYMRIEZJAGOX-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-1-(2-tert-butylphenyl)-2-methylpiperazine
CID 64936488
5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine
CID 64953705
2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline
CID 106760888
5-butan-2-yl-1-[2-(difluoromethoxy)phenyl]-2-methylpiperazine
CID 64938638
2-methyl-5-propyl-1-[2-(trifluoromethyl)phenyl]piperazine
CID 64931762
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
5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine
CID 107854034
5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine
CID 64936737
5-butan-2-yl-1-(2-chloro-6-methylphenyl)-2-methylpiperazine
CID 66254143
5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine
CID 64939080
5-butan-2-yl-1-[4-(difluoromethoxy)phenyl]-2-methylpiperazine
CID 64938260

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-methyl-1-[2-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 5-butan-2-yl-2-methyl-1-[2-(trifluoromethyl)phenyl]piperazine (CID 64951883) is 5-butan-2-yl-2-methyl-1-[2-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 5-butan-2-yl-2-methyl-1-[2-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 5-butan-2-yl-2-methyl-1-[2-(trifluoromethyl)phenyl]piperazine is CCC(C)C1CN(c2ccccc2C(F)(F)F)C(C)CN1.
What is the InChIKey of 5-butan-2-yl-2-methyl-1-[2-(trifluoromethyl)phenyl]piperazine?
The InChIKey is MDRYMRIEZJAGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-4-11(2)14-10-21(12(3)9-20-14)15-8-6-5-7-13(15)16(17,18)19/h5-8,11-12,14,20H,4,9-10H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-methyl-1-[2-(trifluoromethyl)phenyl]piperazine?
5-butan-2-yl-2-methyl-1-[2-(trifluoromethyl)phenyl]piperazine has a molecular weight of 300.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-methyl-1-[2-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 64951883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).