5-tert-butyl-2-methyl-1-(4,4,4-trifluorobutan-2-yl)piperazine

C13H25F3N2 — CID 114129890

IUPAC5-tert-butyl-2-methyl-1-(4,4,4-trifluorobutan-2-yl)piperazine
SMILESCC1CNC(C(C)(C)C)CN1C(C)CC(F)(F)F
InChIInChI=1S/C13H25F3N2/c1-9(6-13(14,15)16)18-8-11(12(3,4)5)17-7-10(18)2/h9-11,17H,6-8H2,1-5H3
InChIKeyLKYLJHKZHNSFDS-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.04
Rot. Bonds2

About 5-tert-butyl-2-methyl-1-(4,4,4-trifluorobutan-2-yl)piperazine

5-tert-butyl-2-methyl-1-(4,4,4-trifluorobutan-2-yl)piperazine (PubChem CID 114129890) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-1-(4,4,4-trifluorobutan-2-yl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-1-(4,4,4-trifluorobutan-2-yl)piperazine
PubChem CID114129890
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name5-tert-butyl-2-methyl-1-(4,4,4-trifluorobutan-2-yl)piperazine
SMILESCC1CNC(C(C)(C)C)CN1C(C)CC(F)(F)F
InChIInChI=1S/C13H25F3N2/c1-9(6-13(14,15)16)18-8-11(12(3,4)5)17-7-10(18)2/h9-11,17H,6-8H2,1-5H3
InChIKeyLKYLJHKZHNSFDS-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-2-methyl-1-propan-2-ylpiperazine
CID 64841228
5-tert-butyl-2-methyl-1-pent-1-yn-3-ylpiperazine
CID 106224574
2-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64939349
1-(4-methoxy-4-methylpentan-2-yl)-2,5-dimethylpiperazine
CID 64979655
5-tert-butyl-2-methyl-1-(3-methylbutyl)piperazine
CID 64841815
5-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
CID 64947821
5-tert-butyl-1-(1-cyclopropylpropan-2-yl)-2-propan-2-ylpiperazine
CID 64939505
5-tert-butyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
CID 114158826
3-methyl-2-(4,4,4-trifluorobutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 114129891
5-tert-butyl-2-ethyl-1-(4-methylsulfanylbutan-2-yl)piperazine
CID 113478263
5-tert-butyl-1-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpiperazine
CID 64940326
5-tert-butyl-2-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine
CID 106294168

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-1-(4,4,4-trifluorobutan-2-yl)piperazine?
The IUPAC name of 5-tert-butyl-2-methyl-1-(4,4,4-trifluorobutan-2-yl)piperazine (CID 114129890) is 5-tert-butyl-2-methyl-1-(4,4,4-trifluorobutan-2-yl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-methyl-1-(4,4,4-trifluorobutan-2-yl)piperazine?
The canonical SMILES for 5-tert-butyl-2-methyl-1-(4,4,4-trifluorobutan-2-yl)piperazine is CC1CNC(C(C)(C)C)CN1C(C)CC(F)(F)F.
What is the InChIKey of 5-tert-butyl-2-methyl-1-(4,4,4-trifluorobutan-2-yl)piperazine?
The InChIKey is LKYLJHKZHNSFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-9(6-13(14,15)16)18-8-11(12(3,4)5)17-7-10(18)2/h9-11,17H,6-8H2,1-5H3.
What are the key properties of 5-tert-butyl-2-methyl-1-(4,4,4-trifluorobutan-2-yl)piperazine?
5-tert-butyl-2-methyl-1-(4,4,4-trifluorobutan-2-yl)piperazine has a molecular weight of 266.35 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-1-(4,4,4-trifluorobutan-2-yl)piperazine is sourced from PubChem (CID 114129890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).