3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propane-1,2-diol

C10H19F3N2O2 — CID 66175262

IUPAC3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propane-1,2-diol
SMILESOCC(O)CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O2/c11-10(12,13)7-15-3-1-8(2-4-15)14-5-9(17)6-16/h8-9,14,16-17H,1-7H2
InChIKeyXDVFXAAXMHMCBD-UHFFFAOYSA-N
MW256.27 g/mol
LogP-0.04
Rot. Bonds5

About 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propane-1,2-diol

3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propane-1,2-diol (PubChem CID 66175262) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propane-1,2-diol
PubChem CID66175262
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propane-1,2-diol
SMILESOCC(O)CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O2/c11-10(12,13)7-15-3-1-8(2-4-15)14-5-9(17)6-16/h8-9,14,16-17H,1-7H2
InChIKeyXDVFXAAXMHMCBD-UHFFFAOYSA-N
XLogP-0.04
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propane-1,2-diol?
The IUPAC name of 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propane-1,2-diol (CID 66175262) is 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propane-1,2-diol is OCC(O)CNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propane-1,2-diol?
The InChIKey is XDVFXAAXMHMCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c11-10(12,13)7-15-3-1-8(2-4-15)14-5-9(17)6-16/h8-9,14,16-17H,1-7H2.
What are the key properties of 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propane-1,2-diol?
3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propane-1,2-diol has a molecular weight of 256.27 g/mol, XLogP of -0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propane-1,2-diol is sourced from PubChem (CID 66175262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).