2-tert-butyl-5-methyl-1-(3,3,3-trifluoropropyl)piperazine

C12H23F3N2 — CID 64845759

IUPAC2-tert-butyl-5-methyl-1-(3,3,3-trifluoropropyl)piperazine
SMILESCC1CN(CCC(F)(F)F)C(C(C)(C)C)CN1
InChIInChI=1S/C12H23F3N2/c1-9-8-17(6-5-12(13,14)15)10(7-16-9)11(2,3)4/h9-10,16H,5-8H2,1-4H3
InChIKeyGTAPWXNSDRKHSJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.65
Rot. Bonds2

About 2-tert-butyl-5-methyl-1-(3,3,3-trifluoropropyl)piperazine

2-tert-butyl-5-methyl-1-(3,3,3-trifluoropropyl)piperazine (PubChem CID 64845759) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-1-(3,3,3-trifluoropropyl)piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-1-(3,3,3-trifluoropropyl)piperazine
PubChem CID64845759
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name2-tert-butyl-5-methyl-1-(3,3,3-trifluoropropyl)piperazine
SMILESCC1CN(CCC(F)(F)F)C(C(C)(C)C)CN1
InChIInChI=1S/C12H23F3N2/c1-9-8-17(6-5-12(13,14)15)10(7-16-9)11(2,3)4/h9-10,16H,5-8H2,1-4H3
InChIKeyGTAPWXNSDRKHSJ-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-1-(3,3-dimethylbutyl)-5-methylpiperazine
CID 64845180
2-tert-butyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592038
2-tert-butyl-5-methyl-1-pentylpiperazine
CID 64844984
5-butan-2-yl-2-tert-butyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64847087
2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine
CID 64844981
2-tert-butyl-1-[3-(2-methoxyethoxy)propyl]-5-methylpiperazine
CID 103414098
5-butan-2-yl-2-tert-butyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518965
2-tert-butyl-5-methyl-1-[3-(oxolan-2-yl)propyl]piperazine
CID 65170275
2-tert-butyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64844009
2-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-5-methylpiperazine
CID 106440349
2-tert-butyl-1-[(4-ethylphenyl)methyl]-5-methylpiperazine
CID 64845564
2-tert-butyl-1-[(4-chlorophenyl)methyl]-5-methylpiperazine
CID 64845947

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-1-(3,3,3-trifluoropropyl)piperazine?
The IUPAC name of 2-tert-butyl-5-methyl-1-(3,3,3-trifluoropropyl)piperazine (CID 64845759) is 2-tert-butyl-5-methyl-1-(3,3,3-trifluoropropyl)piperazine.
What is the SMILES notation for 2-tert-butyl-5-methyl-1-(3,3,3-trifluoropropyl)piperazine?
The canonical SMILES for 2-tert-butyl-5-methyl-1-(3,3,3-trifluoropropyl)piperazine is CC1CN(CCC(F)(F)F)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-5-methyl-1-(3,3,3-trifluoropropyl)piperazine?
The InChIKey is GTAPWXNSDRKHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-9-8-17(6-5-12(13,14)15)10(7-16-9)11(2,3)4/h9-10,16H,5-8H2,1-4H3.
What are the key properties of 2-tert-butyl-5-methyl-1-(3,3,3-trifluoropropyl)piperazine?
2-tert-butyl-5-methyl-1-(3,3,3-trifluoropropyl)piperazine has a molecular weight of 252.32 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-1-(3,3,3-trifluoropropyl)piperazine is sourced from PubChem (CID 64845759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).