5-ethyl-5-methyl-2-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)piperazine

C15H29F3N2 — CID 115518989

IUPAC5-ethyl-5-methyl-2-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)piperazine
SMILESCCC1(C)CN(CCCC(F)(F)F)C(CC(C)C)CN1
InChIInChI=1S/C15H29F3N2/c1-5-14(4)11-20(8-6-7-15(16,17)18)13(10-19-14)9-12(2)3/h12-13,19H,5-11H2,1-4H3
InChIKeyKEXCNGFANHGRTH-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.82
Rot. Bonds6

About 5-ethyl-5-methyl-2-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)piperazine

5-ethyl-5-methyl-2-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)piperazine (PubChem CID 115518989) has the molecular formula C15H29F3N2 and a molecular weight of 294.41 g/mol. Its IUPAC name is 5-ethyl-5-methyl-2-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)piperazine.

Molecular Properties

Compound Name5-ethyl-5-methyl-2-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)piperazine
PubChem CID115518989
Molecular FormulaC15H29F3N2
Molecular Weight294.41 g/mol
Exact Mass294.23
IUPAC Name5-ethyl-5-methyl-2-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)piperazine
SMILESCCC1(C)CN(CCCC(F)(F)F)C(CC(C)C)CN1
InChIInChI=1S/C15H29F3N2/c1-5-14(4)11-20(8-6-7-15(16,17)18)13(10-19-14)9-12(2)3/h12-13,19H,5-11H2,1-4H3
InChIKeyKEXCNGFANHGRTH-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-1-(2-ethylbutyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 82924886
5-ethyl-1-[2-(3-methoxypropoxy)ethyl]-5-methyl-2-(2-methylpropyl)piperazine
CID 103184549
1-(cyclobutylmethyl)-5-ethyl-5-methyl-2-(2-methylpropyl)piperazine
CID 65463085
1-butyl-5,5-dimethyl-2-(2-methylpropyl)piperazine
CID 64838733
8-(2-methylpropyl)-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane
CID 64876420
1-butyl-2,5-diethyl-5-methylpiperazine
CID 64847702
1-(3,3-dimethylbutyl)-5,5-diethyl-2-(2-methylpropyl)piperazine
CID 64860054
2-butan-2-yl-5,5-diethyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115519095
3-(2,5-diethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64935969
5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine
CID 81113589
1-[(4-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-(2-methylpropyl)piperazine
CID 64848118
5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine
CID 115327069

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-2-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)piperazine?
The IUPAC name of 5-ethyl-5-methyl-2-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)piperazine (CID 115518989) is 5-ethyl-5-methyl-2-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)piperazine.
What is the SMILES notation for 5-ethyl-5-methyl-2-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)piperazine?
The canonical SMILES for 5-ethyl-5-methyl-2-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)piperazine is CCC1(C)CN(CCCC(F)(F)F)C(CC(C)C)CN1.
What is the InChIKey of 5-ethyl-5-methyl-2-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)piperazine?
The InChIKey is KEXCNGFANHGRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2/c1-5-14(4)11-20(8-6-7-15(16,17)18)13(10-19-14)9-12(2)3/h12-13,19H,5-11H2,1-4H3.
What are the key properties of 5-ethyl-5-methyl-2-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)piperazine?
5-ethyl-5-methyl-2-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)piperazine has a molecular weight of 294.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-2-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)piperazine is sourced from PubChem (CID 115518989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).