2,2-dimethyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol

C12H23F3N2O — CID 115359100

IUPAC2,2-dimethyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
SMILESCC(C)(CO)CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2O/c1-11(2,9-18)7-16-10-3-5-17(6-4-10)8-12(13,14)15/h10,16,18H,3-9H2,1-2H3
InChIKeyNYITVODOUHGHAH-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.62
Rot. Bonds5

About 2,2-dimethyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol

2,2-dimethyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol (PubChem CID 115359100) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
PubChem CID115359100
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name2,2-dimethyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
SMILESCC(C)(CO)CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2O/c1-11(2,9-18)7-16-10-3-5-17(6-4-10)8-12(13,14)15/h10,16,18H,3-9H2,1-2H3
InChIKeyNYITVODOUHGHAH-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol (CID 115359100) is 2,2-dimethyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol is CC(C)(CO)CNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2,2-dimethyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol?
The InChIKey is NYITVODOUHGHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-11(2,9-18)7-16-10-3-5-17(6-4-10)8-12(13,14)15/h10,16,18H,3-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol?
2,2-dimethyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol has a molecular weight of 268.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 115359100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).