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

C12H24F3N3O — CID 64820737

IUPAC1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol
SMILESCC(CC(C)(O)CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H24F3N3O/c1-10(7-11(2,19)8-16)18-5-3-17(4-6-18)9-12(13,14)15/h10,19H,3-9,16H2,1-2H3
InChIKeyJZLWUQAIJJJJCQ-UHFFFAOYSA-N
MW283.34 g/mol
LogP0.65
Rot. Bonds5

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

1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol (PubChem CID 64820737) has the molecular formula C12H24F3N3O and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol
PubChem CID64820737
Molecular FormulaC12H24F3N3O
Molecular Weight283.34 g/mol
Exact Mass283.19
IUPAC Name1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol
SMILESCC(CC(C)(O)CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H24F3N3O/c1-10(7-11(2,19)8-16)18-5-3-17(4-6-18)9-12(13,14)15/h10,19H,3-9,16H2,1-2H3
InChIKeyJZLWUQAIJJJJCQ-UHFFFAOYSA-N
XLogP0.65
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol?
The IUPAC name of 1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol (CID 64820737) is 1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol?
The canonical SMILES for 1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol is CC(CC(C)(O)CN)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol?
The InChIKey is JZLWUQAIJJJJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3O/c1-10(7-11(2,19)8-16)18-5-3-17(4-6-18)9-12(13,14)15/h10,19H,3-9,16H2,1-2H3.
What are the key properties of 1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol?
1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol has a molecular weight of 283.34 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol is sourced from PubChem (CID 64820737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).