4,4-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine

C13H26F3N3 — CID 62951330

IUPAC4,4-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine
SMILESCC(C)(C)CC(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H26F3N3/c1-12(2,3)8-11(9-17)19-6-4-18(5-7-19)10-13(14,15)16/h11H,4-10,17H2,1-3H3
InChIKeyWLNHEFFTKVILAG-UHFFFAOYSA-N
MW281.37 g/mol
LogP1.93
Rot. Bonds4

About 4,4-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine

4,4-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine (PubChem CID 62951330) has the molecular formula C13H26F3N3 and a molecular weight of 281.37 g/mol. Its IUPAC name is 4,4-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine
PubChem CID62951330
Molecular FormulaC13H26F3N3
Molecular Weight281.37 g/mol
Exact Mass281.21
IUPAC Name4,4-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine
SMILESCC(C)(C)CC(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H26F3N3/c1-12(2,3)8-11(9-17)19-6-4-18(5-7-19)10-13(14,15)16/h11H,4-10,17H2,1-3H3
InChIKeyWLNHEFFTKVILAG-UHFFFAOYSA-N
XLogP1.93
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 4,4-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine (CID 62951330) is 4,4-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine is CC(C)(C)CC(CN)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4,4-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine?
The InChIKey is WLNHEFFTKVILAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3N3/c1-12(2,3)8-11(9-17)19-6-4-18(5-7-19)10-13(14,15)16/h11H,4-10,17H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine?
4,4-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine has a molecular weight of 281.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 62951330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).