2-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol

C13H25F3N2O — CID 83992160

IUPAC2-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCC(C)CN1CC(CCO)CC(NCC(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-10(2)6-18-7-11(3-4-19)5-12(8-18)17-9-13(14,15)16/h10-12,17,19H,3-9H2,1-2H3
InChIKeyKAMOVLMNQFZFNB-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.87
Rot. Bonds6

About 2-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol

2-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (PubChem CID 83992160) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
PubChem CID83992160
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name2-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCC(C)CN1CC(CCO)CC(NCC(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-10(2)6-18-7-11(3-4-19)5-12(8-18)17-9-13(14,15)16/h10-12,17,19H,3-9H2,1-2H3
InChIKeyKAMOVLMNQFZFNB-UHFFFAOYSA-N
XLogP1.87
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol 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-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (CID 83992160) is 2-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is CC(C)CN1CC(CCO)CC(NCC(F)(F)F)C1.
What is the InChIKey of 2-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The InChIKey is KAMOVLMNQFZFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-10(2)6-18-7-11(3-4-19)5-12(8-18)17-9-13(14,15)16/h10-12,17,19H,3-9H2,1-2H3.
What are the key properties of 2-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
2-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol has a molecular weight of 282.35 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83992160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).