2,5-dimethyl-2-phenyl-1-(4,4,4-trifluorobutyl)piperazine

C16H23F3N2 — CID 115518790

IUPAC2,5-dimethyl-2-phenyl-1-(4,4,4-trifluorobutyl)piperazine
SMILESCC1CN(CCCC(F)(F)F)C(C)(c2ccccc2)CN1
InChIInChI=1S/C16H23F3N2/c1-13-11-21(10-6-9-16(17,18)19)15(2,12-20-13)14-7-4-3-5-8-14/h3-5,7-8,13,20H,6,9-12H2,1-2H3
InChIKeyJTOZTEBNBGENLR-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.54
Rot. Bonds4

About 2,5-dimethyl-2-phenyl-1-(4,4,4-trifluorobutyl)piperazine

2,5-dimethyl-2-phenyl-1-(4,4,4-trifluorobutyl)piperazine (PubChem CID 115518790) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2,5-dimethyl-2-phenyl-1-(4,4,4-trifluorobutyl)piperazine.

Molecular Properties

Compound Name2,5-dimethyl-2-phenyl-1-(4,4,4-trifluorobutyl)piperazine
PubChem CID115518790
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name2,5-dimethyl-2-phenyl-1-(4,4,4-trifluorobutyl)piperazine
SMILESCC1CN(CCCC(F)(F)F)C(C)(c2ccccc2)CN1
InChIInChI=1S/C16H23F3N2/c1-13-11-21(10-6-9-16(17,18)19)15(2,12-20-13)14-7-4-3-5-8-14/h3-5,7-8,13,20H,6,9-12H2,1-2H3
InChIKeyJTOZTEBNBGENLR-UHFFFAOYSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoropropyl)-2,5-dimethyl-2-phenylpiperazine
CID 81113703
2,5-dimethyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64845157
2,5-dimethyl-1-pentyl-2-phenylpiperazine
CID 64845156
1-(3,3-dimethylbutyl)-2,5-dimethyl-2-phenylpiperazine
CID 64845546
1-(3-methoxypropyl)-2,5-dimethyl-2-phenylpiperazine
CID 64846932
1-(4-methoxybutyl)-2,5-dimethyl-2-phenylpiperazine
CID 104650161
2,5-dimethyl-1-(2-methylpropyl)-2-phenylpiperazine
CID 64843969
2,5-dimethyl-2-phenyl-1-prop-2-enylpiperazine
CID 64844166
1-butyl-2-methyl-5-(2-methylpropyl)-2-phenylpiperazine
CID 64847619
1-[(E)-3-chloro-2-methylprop-2-enyl]-2,5-dimethyl-2-phenylpiperazine
CID 106440345
5-cyclopropyl-2-methyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64860166
1-(2-fluoroethyl)-2-methyl-2-phenyl-5-propan-2-ylpiperazine
CID 80697269

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-phenyl-1-(4,4,4-trifluorobutyl)piperazine?
The IUPAC name of 2,5-dimethyl-2-phenyl-1-(4,4,4-trifluorobutyl)piperazine (CID 115518790) is 2,5-dimethyl-2-phenyl-1-(4,4,4-trifluorobutyl)piperazine.
What is the SMILES notation for 2,5-dimethyl-2-phenyl-1-(4,4,4-trifluorobutyl)piperazine?
The canonical SMILES for 2,5-dimethyl-2-phenyl-1-(4,4,4-trifluorobutyl)piperazine is CC1CN(CCCC(F)(F)F)C(C)(c2ccccc2)CN1.
What is the InChIKey of 2,5-dimethyl-2-phenyl-1-(4,4,4-trifluorobutyl)piperazine?
The InChIKey is JTOZTEBNBGENLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-13-11-21(10-6-9-16(17,18)19)15(2,12-20-13)14-7-4-3-5-8-14/h3-5,7-8,13,20H,6,9-12H2,1-2H3.
What are the key properties of 2,5-dimethyl-2-phenyl-1-(4,4,4-trifluorobutyl)piperazine?
2,5-dimethyl-2-phenyl-1-(4,4,4-trifluorobutyl)piperazine has a molecular weight of 300.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-phenyl-1-(4,4,4-trifluorobutyl)piperazine is sourced from PubChem (CID 115518790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).