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

C12H24F3N3O — CID 64789500

IUPAC2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
SMILESCC(CC(C)(N)CO)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H24F3N3O/c1-10(7-11(2,16)9-19)18-5-3-17(4-6-18)8-12(13,14)15/h10,19H,3-9,16H2,1-2H3
InChIKeyRDRBNKWQPVEZNC-UHFFFAOYSA-N
MW283.34 g/mol
LogP0.65
Rot. Bonds5

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

2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol (PubChem CID 64789500) has the molecular formula C12H24F3N3O and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
PubChem CID64789500
Molecular FormulaC12H24F3N3O
Molecular Weight283.34 g/mol
Exact Mass283.19
IUPAC Name2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol
SMILESCC(CC(C)(N)CO)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H24F3N3O/c1-10(7-11(2,16)9-19)18-5-3-17(4-6-18)8-12(13,14)15/h10,19H,3-9,16H2,1-2H3
InChIKeyRDRBNKWQPVEZNC-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol?
The IUPAC name of 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol (CID 64789500) is 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol?
The canonical SMILES for 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol is CC(CC(C)(N)CO)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol?
The InChIKey is RDRBNKWQPVEZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3O/c1-10(7-11(2,16)9-19)18-5-3-17(4-6-18)8-12(13,14)15/h10,19H,3-9,16H2,1-2H3.
What are the key properties of 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol?
2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-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 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-ol is sourced from PubChem (CID 64789500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).