2-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine

C13H24F3N3 — CID 62071235

IUPAC2-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
SMILESNCC(C1CCCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3/c14-13(15,16)10-18-5-7-19(8-6-18)12(9-17)11-3-1-2-4-11/h11-12H,1-10,17H2
InChIKeyHDFQYVUFHKPRPU-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.68
Rot. Bonds4

About 2-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine

2-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine (PubChem CID 62071235) has the molecular formula C13H24F3N3 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
PubChem CID62071235
Molecular FormulaC13H24F3N3
Molecular Weight279.35 g/mol
Exact Mass279.19
IUPAC Name2-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
SMILESNCC(C1CCCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3/c14-13(15,16)10-18-5-7-19(8-6-18)12(9-17)11-3-1-2-4-11/h11-12H,1-10,17H2
InChIKeyHDFQYVUFHKPRPU-UHFFFAOYSA-N
XLogP1.68
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine (CID 62071235) is 2-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine is NCC(C1CCCC1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The InChIKey is HDFQYVUFHKPRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3/c14-13(15,16)10-18-5-7-19(8-6-18)12(9-17)11-3-1-2-4-11/h11-12H,1-10,17H2.
What are the key properties of 2-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
2-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine has a molecular weight of 279.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 62071235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).