1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanol

C12H21F3N2O — CID 63294839

IUPAC1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanol
SMILESOC(CNC1CCN(CC(F)(F)F)CC1)C1CC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)8-17-5-3-10(4-6-17)16-7-11(18)9-1-2-9/h9-11,16,18H,1-8H2
InChIKeyZJQGEBUUBRVVHG-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.37
Rot. Bonds5

About 1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanol

1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanol (PubChem CID 63294839) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanol
PubChem CID63294839
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanol
SMILESOC(CNC1CCN(CC(F)(F)F)CC1)C1CC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)8-17-5-3-10(4-6-17)16-7-11(18)9-1-2-9/h9-11,16,18H,1-8H2
InChIKeyZJQGEBUUBRVVHG-UHFFFAOYSA-N
XLogP1.37
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]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 1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanol (CID 63294839) is 1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanol is OC(CNC1CCN(CC(F)(F)F)CC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanol?
The InChIKey is ZJQGEBUUBRVVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c13-12(14,15)8-17-5-3-10(4-6-17)16-7-11(18)9-1-2-9/h9-11,16,18H,1-8H2.
What are the key properties of 1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanol?
1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanol has a molecular weight of 266.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanol is sourced from PubChem (CID 63294839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).