2-amino-2-ethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile

C13H23F3N4 — CID 106803558

IUPAC2-amino-2-ethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile
SMILESCCC(N)(C#N)CCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N4/c1-2-12(18,10-17)4-3-5-19-6-8-20(9-7-19)11-13(14,15)16/h2-9,11,18H2,1H3
InChIKeyVKBISJVIYYPSLV-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.58
Rot. Bonds6

About 2-amino-2-ethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile

2-amino-2-ethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile (PubChem CID 106803558) has the molecular formula C13H23F3N4 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2-amino-2-ethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile
PubChem CID106803558
Molecular FormulaC13H23F3N4
Molecular Weight292.35 g/mol
Exact Mass292.19
IUPAC Name2-amino-2-ethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile
SMILESCCC(N)(C#N)CCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N4/c1-2-12(18,10-17)4-3-5-19-6-8-20(9-7-19)11-13(14,15)16/h2-9,11,18H2,1H3
InChIKeyVKBISJVIYYPSLV-UHFFFAOYSA-N
XLogP1.58
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Difluoromethyl)-1-ethylpiperidin-3-amine
CID 89364714
4,4-Difluoro-1-(3-methylhexan-3-yl)piperidin-3-amine
CID 167126951
2-Amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanenitrile
CID 55140971
2-Amino-6-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylhexanenitrile
CID 61907049
2-Amino-2-methyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexanenitrile
CID 61907901
2-Amino-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexanenitrile
CID 61909404
2-(Ethylamino)-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile
CID 62967772
2-Amino-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexanenitrile
CID 62967773
2-Methyl-2-(methylamino)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexanenitrile
CID 62967774
2-Amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile
CID 62968088
2-Methyl-2-(methylamino)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile
CID 62968089
2-Methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-amine
CID 62968805

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile?
The IUPAC name of 2-amino-2-ethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile (CID 106803558) is 2-amino-2-ethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile.
What is the SMILES notation for 2-amino-2-ethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile?
The canonical SMILES for 2-amino-2-ethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile is CCC(N)(C#N)CCCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-amino-2-ethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile?
The InChIKey is VKBISJVIYYPSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N4/c1-2-12(18,10-17)4-3-5-19-6-8-20(9-7-19)11-13(14,15)16/h2-9,11,18H2,1H3.
What are the key properties of 2-amino-2-ethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile?
2-amino-2-ethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile has a molecular weight of 292.35 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile is sourced from PubChem (CID 106803558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).