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

C13H23F3N2O — CID 83992494

IUPAC2-[1-cyclobutyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESOCCC1CC(NCC(F)(F)F)CN(C2CCC2)C1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)9-17-11-6-10(4-5-19)7-18(8-11)12-2-1-3-12/h10-12,17,19H,1-9H2
InChIKeyAIHVZVOFQQZFII-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.76
Rot. Bonds5

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

2-[1-cyclobutyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (PubChem CID 83992494) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[1-cyclobutyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-cyclobutyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
PubChem CID83992494
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2-[1-cyclobutyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESOCCC1CC(NCC(F)(F)F)CN(C2CCC2)C1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)9-17-11-6-10(4-5-19)7-18(8-11)12-2-1-3-12/h10-12,17,19H,1-9H2
InChIKeyAIHVZVOFQQZFII-UHFFFAOYSA-N
XLogP1.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-cyclobutyl-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-cyclobutyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-cyclobutyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (CID 83992494) is 2-[1-cyclobutyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-cyclobutyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-cyclobutyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is OCCC1CC(NCC(F)(F)F)CN(C2CCC2)C1.
What is the InChIKey of 2-[1-cyclobutyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The InChIKey is AIHVZVOFQQZFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c14-13(15,16)9-17-11-6-10(4-5-19)7-18(8-11)12-2-1-3-12/h10-12,17,19H,1-9H2.
What are the key properties of 2-[1-cyclobutyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
2-[1-cyclobutyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol has a molecular weight of 280.33 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclobutyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83992494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).