5-tert-butyl-1-nonan-3-yl-2-(2,2,2-trifluoroethoxy)piperazine

C19H37F3N2O — CID 155003771

IUPAC5-tert-butyl-1-nonan-3-yl-2-(2,2,2-trifluoroethoxy)piperazine
SMILESCCCCCCC(CC)N1CC(C(C)(C)C)NCC1OCC(F)(F)F
InChIInChI=1S/C19H37F3N2O/c1-6-8-9-10-11-15(7-2)24-13-16(18(3,4)5)23-12-17(24)25-14-19(20,21)22/h15-17,23H,6-14H2,1-5H3
InChIKeyAIDGVMNXKABIBD-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.96
Rot. Bonds9

About 5-tert-butyl-1-nonan-3-yl-2-(2,2,2-trifluoroethoxy)piperazine

5-tert-butyl-1-nonan-3-yl-2-(2,2,2-trifluoroethoxy)piperazine (PubChem CID 155003771) has the molecular formula C19H37F3N2O and a molecular weight of 366.51 g/mol. Its IUPAC name is 5-tert-butyl-1-nonan-3-yl-2-(2,2,2-trifluoroethoxy)piperazine.

Molecular Properties

Compound Name5-tert-butyl-1-nonan-3-yl-2-(2,2,2-trifluoroethoxy)piperazine
PubChem CID155003771
Molecular FormulaC19H37F3N2O
Molecular Weight366.51 g/mol
Exact Mass366.29
IUPAC Name5-tert-butyl-1-nonan-3-yl-2-(2,2,2-trifluoroethoxy)piperazine
SMILESCCCCCCC(CC)N1CC(C(C)(C)C)NCC1OCC(F)(F)F
InChIInChI=1S/C19H37F3N2O/c1-6-8-9-10-11-15(7-2)24-13-16(18(3,4)5)23-12-17(24)25-14-19(20,21)22/h15-17,23H,6-14H2,1-5H3
InChIKeyAIDGVMNXKABIBD-UHFFFAOYSA-N
XLogP4.96
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.96
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-tert-butyl-1-nonan-3-yl-2-(2,2,2-trifluoroethoxy)piperazine?
The IUPAC name of 5-tert-butyl-1-nonan-3-yl-2-(2,2,2-trifluoroethoxy)piperazine (CID 155003771) is 5-tert-butyl-1-nonan-3-yl-2-(2,2,2-trifluoroethoxy)piperazine.
What is the SMILES notation for 5-tert-butyl-1-nonan-3-yl-2-(2,2,2-trifluoroethoxy)piperazine?
The canonical SMILES for 5-tert-butyl-1-nonan-3-yl-2-(2,2,2-trifluoroethoxy)piperazine is CCCCCCC(CC)N1CC(C(C)(C)C)NCC1OCC(F)(F)F.
What is the InChIKey of 5-tert-butyl-1-nonan-3-yl-2-(2,2,2-trifluoroethoxy)piperazine?
The InChIKey is AIDGVMNXKABIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37F3N2O/c1-6-8-9-10-11-15(7-2)24-13-16(18(3,4)5)23-12-17(24)25-14-19(20,21)22/h15-17,23H,6-14H2,1-5H3.
What are the key properties of 5-tert-butyl-1-nonan-3-yl-2-(2,2,2-trifluoroethoxy)piperazine?
5-tert-butyl-1-nonan-3-yl-2-(2,2,2-trifluoroethoxy)piperazine has a molecular weight of 366.51 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-nonan-3-yl-2-(2,2,2-trifluoroethoxy)piperazine is sourced from PubChem (CID 155003771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).