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

C13H23F3N2 — CID 114158815

IUPAC5-butan-2-yl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
SMILESCCC(C)C1CN(C2(C(F)(F)F)CC2)C(C)CN1
InChIInChI=1S/C13H23F3N2/c1-4-9(2)11-8-18(10(3)7-17-11)12(5-6-12)13(14,15)16/h9-11,17H,4-8H2,1-3H3
InChIKeyGTYJWJBAWRZLGO-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.79
Rot. Bonds3

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

5-butan-2-yl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine (PubChem CID 114158815) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-butan-2-yl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
PubChem CID114158815
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name5-butan-2-yl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
SMILESCCC(C)C1CN(C2(C(F)(F)F)CC2)C(C)CN1
InChIInChI=1S/C13H23F3N2/c1-4-9(2)11-8-18(10(3)7-17-11)12(5-6-12)13(14,15)16/h9-11,17H,4-8H2,1-3H3
InChIKeyGTYJWJBAWRZLGO-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
CID 106211860
2,5-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
CID 106211954
5-tert-butyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
CID 114158826
5-butan-2-yl-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine
CID 79878573
5-butan-2-yl-1-cyclopropyl-2-methylpiperazine
CID 64954275
5-butan-2-yl-2-methyl-1-(5-methylhexan-2-yl)piperazine
CID 64938208
5,5-diethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
CID 114158814
5-butan-2-yl-1-cyclobutyl-2-methylpiperazine
CID 64938367
5-butan-2-yl-2-methyl-1-(2-methylbut-3-yn-2-yl)piperazine
CID 64937442
5-butan-2-yl-2-methyl-1-[2-(trifluoromethyl)phenyl]piperazine
CID 64951883
5-butan-2-yl-1,2,2-trimethylpiperazine
CID 64847098
5-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-2-methylpiperazine
CID 105410061

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine?
The IUPAC name of 5-butan-2-yl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine (CID 114158815) is 5-butan-2-yl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine.
What is the SMILES notation for 5-butan-2-yl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine?
The canonical SMILES for 5-butan-2-yl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine is CCC(C)C1CN(C2(C(F)(F)F)CC2)C(C)CN1.
What is the InChIKey of 5-butan-2-yl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine?
The InChIKey is GTYJWJBAWRZLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-4-9(2)11-8-18(10(3)7-17-11)12(5-6-12)13(14,15)16/h9-11,17H,4-8H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine?
5-butan-2-yl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine has a molecular weight of 264.33 g/mol, XLogP of 2.79, 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-[1-(trifluoromethyl)cyclopropyl]piperazine is sourced from PubChem (CID 114158815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).