5-tert-butyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine

C13H23F3N2 — CID 114158826

IUPAC5-tert-butyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
SMILESCC1CNC(C(C)(C)C)CN1C1(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2/c1-9-7-17-10(11(2,3)4)8-18(9)12(5-6-12)13(14,15)16/h9-10,17H,5-8H2,1-4H3
InChIKeyYZKDKLBYVNSZLZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.79
Rot. Bonds1

About 5-tert-butyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine

5-tert-butyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine (PubChem CID 114158826) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
PubChem CID114158826
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name5-tert-butyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
SMILESCC1CNC(C(C)(C)C)CN1C1(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2/c1-9-7-17-10(11(2,3)4)8-18(9)12(5-6-12)13(14,15)16/h9-10,17H,5-8H2,1-4H3
InChIKeyYZKDKLBYVNSZLZ-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
CID 106211954
5-tert-butyl-2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
CID 106211932
5-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
CID 106211860
5-butan-2-yl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
CID 114158815
5-tert-butyl-1-[(1-ethylcyclobutyl)methyl]-2-methylpiperazine
CID 114109452
5,5-diethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
CID 114158814
5-tert-butyl-2-methyl-1-propan-2-ylpiperazine
CID 64841228
5-tert-butyl-2-methyl-1-(4,4,4-trifluorobutan-2-yl)piperazine
CID 114129890
5-tert-butyl-2-methyl-1-(3-methylbutyl)piperazine
CID 64841815
5-tert-butyl-1-heptyl-2-methylpiperazine
CID 64841619
5-tert-butyl-2-methyl-1-(oxolan-2-ylmethyl)piperazine
CID 64841812
5-tert-butyl-1-(2-ethoxy-2-methylpropyl)-2-methylpiperazine
CID 114944393

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine?
The IUPAC name of 5-tert-butyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine (CID 114158826) is 5-tert-butyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine.
What is the SMILES notation for 5-tert-butyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine?
The canonical SMILES for 5-tert-butyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine is CC1CNC(C(C)(C)C)CN1C1(C(F)(F)F)CC1.
What is the InChIKey of 5-tert-butyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine?
The InChIKey is YZKDKLBYVNSZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-9-7-17-10(11(2,3)4)8-18(9)12(5-6-12)13(14,15)16/h9-10,17H,5-8H2,1-4H3.
What are the key properties of 5-tert-butyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine?
5-tert-butyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine has a molecular weight of 264.33 g/mol, XLogP of 2.79, 1 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-[1-(trifluoromethyl)cyclopropyl]piperazine is sourced from PubChem (CID 114158826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).