2-butan-2-yl-5,5-diethyl-1-(4,4,4-trifluorobutyl)piperazine

C16H31F3N2 — CID 115519095

IUPAC2-butan-2-yl-5,5-diethyl-1-(4,4,4-trifluorobutyl)piperazine
SMILESCCC(C)C1CNC(CC)(CC)CN1CCCC(F)(F)F
InChIInChI=1S/C16H31F3N2/c1-5-13(4)14-11-20-15(6-2,7-3)12-21(14)10-8-9-16(17,18)19/h13-14,20H,5-12H2,1-4H3
InChIKeyPAKFTGVKVKTFNC-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.21
Rot. Bonds7

About 2-butan-2-yl-5,5-diethyl-1-(4,4,4-trifluorobutyl)piperazine

2-butan-2-yl-5,5-diethyl-1-(4,4,4-trifluorobutyl)piperazine (PubChem CID 115519095) has the molecular formula C16H31F3N2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-butan-2-yl-5,5-diethyl-1-(4,4,4-trifluorobutyl)piperazine.

Molecular Properties

Compound Name2-butan-2-yl-5,5-diethyl-1-(4,4,4-trifluorobutyl)piperazine
PubChem CID115519095
Molecular FormulaC16H31F3N2
Molecular Weight308.43 g/mol
Exact Mass308.24
IUPAC Name2-butan-2-yl-5,5-diethyl-1-(4,4,4-trifluorobutyl)piperazine
SMILESCCC(C)C1CNC(CC)(CC)CN1CCCC(F)(F)F
InChIInChI=1S/C16H31F3N2/c1-5-13(4)14-11-20-15(6-2,7-3)12-21(14)10-8-9-16(17,18)19/h13-14,20H,5-12H2,1-4H3
InChIKeyPAKFTGVKVKTFNC-UHFFFAOYSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-5,5-diethyl-1-(3-methoxy-3-methylbutyl)piperazine
CID 103016623
8-butan-2-yl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane
CID 64878141
2-butan-2-yl-5-methyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518778
2,5-di(butan-2-yl)-1-(4,4,4-trifluorobutyl)piperazine
CID 115518959
2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine
CID 64861206
2-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-5,5-diethylpiperazine
CID 107901805
5,5-diethyl-1-octyl-2-propan-2-ylpiperazine
CID 64860045
5,5-diethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64860416
2-butan-2-yl-5,5-diethyl-1-(3-methylbut-2-enyl)piperazine
CID 107901804
2-butan-2-yl-5-ethyl-1-heptyl-5-methylpiperazine
CID 64847163
5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine
CID 65097167
5-ethyl-5-methyl-2-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)piperazine
CID 115518989

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5,5-diethyl-1-(4,4,4-trifluorobutyl)piperazine?
The IUPAC name of 2-butan-2-yl-5,5-diethyl-1-(4,4,4-trifluorobutyl)piperazine (CID 115519095) is 2-butan-2-yl-5,5-diethyl-1-(4,4,4-trifluorobutyl)piperazine.
What is the SMILES notation for 2-butan-2-yl-5,5-diethyl-1-(4,4,4-trifluorobutyl)piperazine?
The canonical SMILES for 2-butan-2-yl-5,5-diethyl-1-(4,4,4-trifluorobutyl)piperazine is CCC(C)C1CNC(CC)(CC)CN1CCCC(F)(F)F.
What is the InChIKey of 2-butan-2-yl-5,5-diethyl-1-(4,4,4-trifluorobutyl)piperazine?
The InChIKey is PAKFTGVKVKTFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3N2/c1-5-13(4)14-11-20-15(6-2,7-3)12-21(14)10-8-9-16(17,18)19/h13-14,20H,5-12H2,1-4H3.
What are the key properties of 2-butan-2-yl-5,5-diethyl-1-(4,4,4-trifluorobutyl)piperazine?
2-butan-2-yl-5,5-diethyl-1-(4,4,4-trifluorobutyl)piperazine has a molecular weight of 308.43 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5,5-diethyl-1-(4,4,4-trifluorobutyl)piperazine is sourced from PubChem (CID 115519095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).