(3R)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)piperazine

C9H17F3N2 — CID 176917889

IUPAC(3R)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)piperazine
SMILESCC(C)N1CCN[C@H](CC(F)(F)F)C1
InChIInChI=1S/C9H17F3N2/c1-7(2)14-4-3-13-8(6-14)5-9(10,11)12/h7-8,13H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyUPLXFMUUDSQEHR-MRVPVSSYSA-N
MW210.24 g/mol
LogP1.62
Rot. Bonds2

About (3R)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)piperazine

(3R)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)piperazine (PubChem CID 176917889) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is (3R)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name(3R)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)piperazine
PubChem CID176917889
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name(3R)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)piperazine
SMILESCC(C)N1CCN[C@H](CC(F)(F)F)C1
InChIInChI=1S/C9H17F3N2/c1-7(2)14-4-3-13-8(6-14)5-9(10,11)12/h7-8,13H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyUPLXFMUUDSQEHR-MRVPVSSYSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of (3R)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)piperazine (CID 176917889) is (3R)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for (3R)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for (3R)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)piperazine is CC(C)N1CCN[C@H](CC(F)(F)F)C1.
What is the InChIKey of (3R)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is UPLXFMUUDSQEHR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-7(2)14-4-3-13-8(6-14)5-9(10,11)12/h7-8,13H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of (3R)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)piperazine?
(3R)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 210.24 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 176917889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).