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

C11H21F3N4O — CID 62968267

IUPAC2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanamide
SMILESCC(N)(CCN1CCN(CC(F)(F)F)CC1)C(N)=O
InChIInChI=1S/C11H21F3N4O/c1-10(16,9(15)19)2-3-17-4-6-18(7-5-17)8-11(12,13)14/h2-8,16H2,1H3,(H2,15,19)
InChIKeyOGNRCJHXPVXZQL-UHFFFAOYSA-N
MW282.31 g/mol
LogP-0.24
Rot. Bonds5

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

2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanamide (PubChem CID 62968267) has the molecular formula C11H21F3N4O and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanamide.

Molecular Properties

Compound Name2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanamide
PubChem CID62968267
Molecular FormulaC11H21F3N4O
Molecular Weight282.31 g/mol
Exact Mass282.17
IUPAC Name2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanamide
SMILESCC(N)(CCN1CCN(CC(F)(F)F)CC1)C(N)=O
InChIInChI=1S/C11H21F3N4O/c1-10(16,9(15)19)2-3-17-4-6-18(7-5-17)8-11(12,13)14/h2-8,16H2,1H3,(H2,15,19)
InChIKeyOGNRCJHXPVXZQL-UHFFFAOYSA-N
XLogP-0.24
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine
CID 64680572
2-amino-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid
CID 62968090
2-amino-2-methyl-4-(4-propylpiperidin-1-yl)butanamide
CID 62205252
4,4-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-3-one
CID 62968608
2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanamide
CID 61218639
2-bromo-2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 114327524
2-amino-4-(1,3-dihydroisoindol-2-yl)-2-methylbutanamide
CID 62231177
2-amino-4-(3-methoxypyrrolidin-1-yl)-2-methylbutanamide
CID 103538003
ethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 143483059
1-methyl-4-(2,2,2-trifluoroethyl)piperazine
CID 23236212
(2S)-2-amino-4-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one
CID 61259797
methyl 2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoate
CID 63054192

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanamide?
The IUPAC name of 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanamide (CID 62968267) is 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanamide.
What is the SMILES notation for 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanamide?
The canonical SMILES for 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanamide is CC(N)(CCN1CCN(CC(F)(F)F)CC1)C(N)=O.
What is the InChIKey of 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanamide?
The InChIKey is OGNRCJHXPVXZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4O/c1-10(16,9(15)19)2-3-17-4-6-18(7-5-17)8-11(12,13)14/h2-8,16H2,1H3,(H2,15,19).
What are the key properties of 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanamide?
2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanamide has a molecular weight of 282.31 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanamide is sourced from PubChem (CID 62968267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).