5-tert-butyl-2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine

C15H27F3N2O — CID 64841649

IUPAC5-tert-butyl-2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
SMILESCC(C)(C)C1CN(CCOCC(F)(F)F)C(C2CC2)CN1
InChIInChI=1S/C15H27F3N2O/c1-14(2,3)13-9-20(6-7-21-10-15(16,17)18)12(8-19-13)11-4-5-11/h11-13,19H,4-10H2,1-3H3
InChIKeySEMVQEFNTISSIO-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.66
Rot. Bonds5

About 5-tert-butyl-2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine

5-tert-butyl-2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine (PubChem CID 64841649) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 5-tert-butyl-2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
PubChem CID64841649
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name5-tert-butyl-2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
SMILESCC(C)(C)C1CN(CCOCC(F)(F)F)C(C2CC2)CN1
InChIInChI=1S/C15H27F3N2O/c1-14(2,3)13-9-20(6-7-21-10-15(16,17)18)12(8-19-13)11-4-5-11/h11-13,19H,4-10H2,1-3H3
InChIKeySEMVQEFNTISSIO-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-2-cyclopropyl-1-(2-ethoxyethyl)piperazine
CID 64841456
5-tert-butyl-2-cyclopropyl-1-octylpiperazine
CID 64841844
5-tert-butyl-1-(cyclopentylmethyl)-2-cyclopropylpiperazine
CID 64841267
1-(2-butoxyethyl)-2-cyclopropyl-5-propylpiperazine
CID 64839370
1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine
CID 64842412
5-tert-butyl-2,2-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 64842451
2-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine
CID 64849325
5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine
CID 103184526
5-tert-butyl-2-cyclopropyl-1-[(2-fluorophenyl)methyl]piperazine
CID 64842417
2,5-dicyclopropyl-1-[2-(2-methylpropoxy)ethyl]piperazine
CID 106458819
5-tert-butyl-2-cyclohexyl-1-(2-methylpropyl)piperazine
CID 64842807
5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64841627

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The IUPAC name of 5-tert-butyl-2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine (CID 64841649) is 5-tert-butyl-2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine.
What is the SMILES notation for 5-tert-butyl-2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The canonical SMILES for 5-tert-butyl-2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine is CC(C)(C)C1CN(CCOCC(F)(F)F)C(C2CC2)CN1.
What is the InChIKey of 5-tert-butyl-2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The InChIKey is SEMVQEFNTISSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-14(2,3)13-9-20(6-7-21-10-15(16,17)18)12(8-19-13)11-4-5-11/h11-13,19H,4-10H2,1-3H3.
What are the key properties of 5-tert-butyl-2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
5-tert-butyl-2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine has a molecular weight of 308.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine is sourced from PubChem (CID 64841649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).