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

C16H31F3N2 — CID 115518965

IUPAC5-butan-2-yl-2-tert-butyl-1-(4,4,4-trifluorobutyl)piperazine
SMILESCCC(C)C1CN(CCCC(F)(F)F)C(C(C)(C)C)CN1
InChIInChI=1S/C16H31F3N2/c1-6-12(2)13-11-21(9-7-8-16(17,18)19)14(10-20-13)15(3,4)5/h12-14,20H,6-11H2,1-5H3
InChIKeyQMVOLCZFZCZOTH-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.06
Rot. Bonds5

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

5-butan-2-yl-2-tert-butyl-1-(4,4,4-trifluorobutyl)piperazine (PubChem CID 115518965) has the molecular formula C16H31F3N2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 5-butan-2-yl-2-tert-butyl-1-(4,4,4-trifluorobutyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-tert-butyl-1-(4,4,4-trifluorobutyl)piperazine
PubChem CID115518965
Molecular FormulaC16H31F3N2
Molecular Weight308.43 g/mol
Exact Mass308.24
IUPAC Name5-butan-2-yl-2-tert-butyl-1-(4,4,4-trifluorobutyl)piperazine
SMILESCCC(C)C1CN(CCCC(F)(F)F)C(C(C)(C)C)CN1
InChIInChI=1S/C16H31F3N2/c1-6-12(2)13-11-21(9-7-8-16(17,18)19)14(10-20-13)15(3,4)5/h12-14,20H,6-11H2,1-5H3
InChIKeyQMVOLCZFZCZOTH-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-butan-2-yl-2-tert-butyl-1-(4,4,4-trifluorobutyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-tert-butyl-1-(4,4,4-trifluorobutyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-tert-butyl-1-(4,4,4-trifluorobutyl)piperazine (CID 115518965) is 5-butan-2-yl-2-tert-butyl-1-(4,4,4-trifluorobutyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-tert-butyl-1-(4,4,4-trifluorobutyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-tert-butyl-1-(4,4,4-trifluorobutyl)piperazine is CCC(C)C1CN(CCCC(F)(F)F)C(C(C)(C)C)CN1.
What is the InChIKey of 5-butan-2-yl-2-tert-butyl-1-(4,4,4-trifluorobutyl)piperazine?
The InChIKey is QMVOLCZFZCZOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3N2/c1-6-12(2)13-11-21(9-7-8-16(17,18)19)14(10-20-13)15(3,4)5/h12-14,20H,6-11H2,1-5H3.
What are the key properties of 5-butan-2-yl-2-tert-butyl-1-(4,4,4-trifluorobutyl)piperazine?
5-butan-2-yl-2-tert-butyl-1-(4,4,4-trifluorobutyl)piperazine has a molecular weight of 308.43 g/mol, XLogP of 4.06, 5 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-tert-butyl-1-(4,4,4-trifluorobutyl)piperazine is sourced from PubChem (CID 115518965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).