4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxan-4-ol

C13H23F3N2O2 — CID 79597661

IUPAC4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxan-4-ol
SMILESOC1(CNC2CCN(CC(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C13H23F3N2O2/c14-13(15,16)10-18-5-1-11(2-6-18)17-9-12(19)3-7-20-8-4-12/h11,17,19H,1-10H2
InChIKeyNGACDJOTOHIDGX-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.14
Rot. Bonds4

About 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxan-4-ol

4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxan-4-ol (PubChem CID 79597661) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxan-4-ol
PubChem CID79597661
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxan-4-ol
SMILESOC1(CNC2CCN(CC(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C13H23F3N2O2/c14-13(15,16)10-18-5-1-11(2-6-18)17-9-12(19)3-7-20-8-4-12/h11,17,19H,1-10H2
InChIKeyNGACDJOTOHIDGX-UHFFFAOYSA-N
XLogP1.14
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxan-4-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 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxan-4-ol (CID 79597661) is 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxan-4-ol is OC1(CNC2CCN(CC(F)(F)F)CC2)CCOCC1.
What is the InChIKey of 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxan-4-ol?
The InChIKey is NGACDJOTOHIDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c14-13(15,16)10-18-5-1-11(2-6-18)17-9-12(19)3-7-20-8-4-12/h11,17,19H,1-10H2.
What are the key properties of 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxan-4-ol?
4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxan-4-ol has a molecular weight of 296.33 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 79597661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).