5,5-diethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine

C13H23F3N2 — CID 114158814

IUPAC5,5-diethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
SMILESCCC1(CC)CN(C2(C(F)(F)F)CC2)C(C)CN1
InChIInChI=1S/C13H23F3N2/c1-4-11(5-2)9-18(10(3)8-17-11)12(6-7-12)13(14,15)16/h10,17H,4-9H2,1-3H3
InChIKeyVERZFHJLQLRCRQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.93
Rot. Bonds3

About 5,5-diethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine

5,5-diethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine (PubChem CID 114158814) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5,5-diethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine.

Molecular Properties

Compound Name5,5-diethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
PubChem CID114158814
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name5,5-diethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
SMILESCCC1(CC)CN(C2(C(F)(F)F)CC2)C(C)CN1
InChIInChI=1S/C13H23F3N2/c1-4-11(5-2)9-18(10(3)8-17-11)12(6-7-12)13(14,15)16/h10,17H,4-9H2,1-3H3
InChIKeyVERZFHJLQLRCRQ-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-diethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64860416
5-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
CID 106211860
5,5-diethyl-2-methyl-1-(2-methylcyclopropyl)piperazine
CID 64948522
2,5-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
CID 106211954
5-ethyl-5-methyl-2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
CID 106211854
5-butan-2-yl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
CID 114158815
5,5-diethyl-2-methyl-1-(3-methylbutyl)piperazine
CID 64862336
5-tert-butyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
CID 114158826
1-cyclobutyl-5,5-diethyl-2-methylpiperazine
CID 64948334
5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine
CID 64860997
1-(2,4-dimethylpentyl)-5,5-diethyl-2-methylpiperazine
CID 114201402
5,5-diethyl-2-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine
CID 80730112

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine?
The IUPAC name of 5,5-diethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine (CID 114158814) is 5,5-diethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine.
What is the SMILES notation for 5,5-diethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine?
The canonical SMILES for 5,5-diethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine is CCC1(CC)CN(C2(C(F)(F)F)CC2)C(C)CN1.
What is the InChIKey of 5,5-diethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine?
The InChIKey is VERZFHJLQLRCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-4-11(5-2)9-18(10(3)8-17-11)12(6-7-12)13(14,15)16/h10,17H,4-9H2,1-3H3.
What are the key properties of 5,5-diethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine?
5,5-diethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine has a molecular weight of 264.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine is sourced from PubChem (CID 114158814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).