2-benzyl-5-ethyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine

C16H23F3N2 — CID 64849486

IUPAC2-benzyl-5-ethyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCCC1(C)CN(CC(F)(F)F)C(Cc2ccccc2)CN1
InChIInChI=1S/C16H23F3N2/c1-3-15(2)11-21(12-16(17,18)19)14(10-20-15)9-13-7-5-4-6-8-13/h4-8,14,20H,3,9-12H2,1-2H3
InChIKeyPTKBSPPCMPYNJA-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.23
Rot. Bonds4

About 2-benzyl-5-ethyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine

2-benzyl-5-ethyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine (PubChem CID 64849486) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-benzyl-5-ethyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name2-benzyl-5-ethyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine
PubChem CID64849486
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name2-benzyl-5-ethyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCCC1(C)CN(CC(F)(F)F)C(Cc2ccccc2)CN1
InChIInChI=1S/C16H23F3N2/c1-3-15(2)11-21(12-16(17,18)19)14(10-20-15)9-13-7-5-4-6-8-13/h4-8,14,20H,3,9-12H2,1-2H3
InChIKeyPTKBSPPCMPYNJA-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-1,5-diethyl-5-methylpiperazine
CID 64849482
2-benzyl-1-(cyclopropylmethyl)-5-ethyl-5-methylpiperazine
CID 64849483
2-benzyl-5-ethyl-5-methyl-1-(2-methylbutyl)piperazine
CID 64849839
1-benzyl-2,5-diethyl-5-methylpiperazine
CID 64849828
5-ethyl-5-methyl-1-(3-phenylpropyl)-2-propylpiperazine
CID 64849061
2,5-diethyl-5-methyl-1-(1-phenylpropan-2-yl)piperazine
CID 64941765
2-benzyl-5,5-diethyl-1-(2-methylpropyl)piperazine
CID 64861605
2-benzyl-5,5-dimethyl-1-(2-methylpentyl)piperazine
CID 64840488
3-benzyl-4-ethyl-1,4-diazaspiro[5.5]undecane
CID 64877822
3-ethyl-3,7-dimethyl-1-(2-phenylethyl)-1,4-diazepane
CID 64871055
2,5-diethyl-1-(2-fluorophenyl)-5-methylpiperazine
CID 64932869
1-[(3,5-difluorophenyl)methyl]-2,5-diethyl-5-methylpiperazine
CID 105410083

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-ethyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 2-benzyl-5-ethyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine (CID 64849486) is 2-benzyl-5-ethyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 2-benzyl-5-ethyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 2-benzyl-5-ethyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine is CCC1(C)CN(CC(F)(F)F)C(Cc2ccccc2)CN1.
What is the InChIKey of 2-benzyl-5-ethyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is PTKBSPPCMPYNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-3-15(2)11-21(12-16(17,18)19)14(10-20-15)9-13-7-5-4-6-8-13/h4-8,14,20H,3,9-12H2,1-2H3.
What are the key properties of 2-benzyl-5-ethyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine?
2-benzyl-5-ethyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 300.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-ethyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 64849486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).