5-(2-methylpropyl)-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine

C13H25F3N2 — CID 64848157

IUPAC5-(2-methylpropyl)-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCC(C)CC1CN(CC(F)(F)F)C(C(C)C)CN1
InChIInChI=1S/C13H25F3N2/c1-9(2)5-11-7-18(8-13(14,15)16)12(6-17-11)10(3)4/h9-12,17H,5-8H2,1-4H3
InChIKeyDBRAGKCRHBOPGS-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.89
Rot. Bonds4

About 5-(2-methylpropyl)-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine

5-(2-methylpropyl)-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine (PubChem CID 64848157) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
PubChem CID64848157
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name5-(2-methylpropyl)-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCC(C)CC1CN(CC(F)(F)F)C(C(C)C)CN1
InChIInChI=1S/C13H25F3N2/c1-9(2)5-11-7-18(8-13(14,15)16)12(6-17-11)10(3)4/h9-12,17H,5-8H2,1-4H3
InChIKeyDBRAGKCRHBOPGS-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 5-(2-methylpropyl)-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine (CID 64848157) is 5-(2-methylpropyl)-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 5-(2-methylpropyl)-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 5-(2-methylpropyl)-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine is CC(C)CC1CN(CC(F)(F)F)C(C(C)C)CN1.
What is the InChIKey of 5-(2-methylpropyl)-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is DBRAGKCRHBOPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-9(2)5-11-7-18(8-13(14,15)16)12(6-17-11)10(3)4/h9-12,17H,5-8H2,1-4H3.
What are the key properties of 5-(2-methylpropyl)-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine?
5-(2-methylpropyl)-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 266.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 64848157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).