5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine

C15H27F3N2O — CID 64876352

IUPAC5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
SMILESCC(C)C1CNC(C)(C2CC2)CN1CCOCC(F)(F)F
InChIInChI=1S/C15H27F3N2O/c1-11(2)13-8-19-14(3,12-4-5-12)9-20(13)6-7-21-10-15(16,17)18/h11-13,19H,4-10H2,1-3H3
InChIKeyDJYIOJBSKNNWOX-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.66
Rot. Bonds6

About 5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine

5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine (PubChem CID 64876352) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine.

Molecular Properties

Compound Name5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
PubChem CID64876352
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
SMILESCC(C)C1CNC(C)(C2CC2)CN1CCOCC(F)(F)F
InChIInChI=1S/C15H27F3N2O/c1-11(2)13-8-19-14(3,12-4-5-12)9-20(13)6-7-21-10-15(16,17)18/h11-13,19H,4-10H2,1-3H3
InChIKeyDJYIOJBSKNNWOX-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The IUPAC name of 5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine (CID 64876352) is 5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine.
What is the SMILES notation for 5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The canonical SMILES for 5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine is CC(C)C1CNC(C)(C2CC2)CN1CCOCC(F)(F)F.
What is the InChIKey of 5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The InChIKey is DJYIOJBSKNNWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-11(2)13-8-19-14(3,12-4-5-12)9-20(13)6-7-21-10-15(16,17)18/h11-13,19H,4-10H2,1-3H3.
What are the key properties of 5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine has a molecular weight of 308.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine is sourced from PubChem (CID 64876352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).