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

C12H21F3N4 — CID 62968088

IUPAC2-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile
SMILESCC(N)(C#N)CCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N4/c1-11(17,9-16)3-2-4-18-5-7-19(8-6-18)10-12(13,14)15/h2-8,10,17H2,1H3
InChIKeyONXBNDHTBAOLRT-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.19
Rot. Bonds5

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

2-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile (PubChem CID 62968088) has the molecular formula C12H21F3N4 and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile
PubChem CID62968088
Molecular FormulaC12H21F3N4
Molecular Weight278.32 g/mol
Exact Mass278.17
IUPAC Name2-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile
SMILESCC(N)(C#N)CCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N4/c1-11(17,9-16)3-2-4-18-5-7-19(8-6-18)10-12(13,14)15/h2-8,10,17H2,1H3
InChIKeyONXBNDHTBAOLRT-UHFFFAOYSA-N
XLogP1.19
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile?
The IUPAC name of 2-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile (CID 62968088) is 2-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile.
What is the SMILES notation for 2-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile?
The canonical SMILES for 2-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile is CC(N)(C#N)CCCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile?
The InChIKey is ONXBNDHTBAOLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4/c1-11(17,9-16)3-2-4-18-5-7-19(8-6-18)10-12(13,14)15/h2-8,10,17H2,1H3.
What are the key properties of 2-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile?
2-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile has a molecular weight of 278.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile is sourced from PubChem (CID 62968088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).