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

C12H23F3N2O — CID 83992213

IUPAC2-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCC(C)N1CC(CCO)CC(NCC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-9(2)17-6-10(3-4-18)5-11(7-17)16-8-12(13,14)15/h9-11,16,18H,3-8H2,1-2H3
InChIKeyQVVOCYUJIHNIFT-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.62
Rot. Bonds5

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

2-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (PubChem CID 83992213) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
PubChem CID83992213
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name2-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCC(C)N1CC(CCO)CC(NCC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-9(2)17-6-10(3-4-18)5-11(7-17)16-8-12(13,14)15/h9-11,16,18H,3-8H2,1-2H3
InChIKeyQVVOCYUJIHNIFT-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-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (CID 83992213) is 2-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is CC(C)N1CC(CCO)CC(NCC(F)(F)F)C1.
What is the InChIKey of 2-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The InChIKey is QVVOCYUJIHNIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-9(2)17-6-10(3-4-18)5-11(7-17)16-8-12(13,14)15/h9-11,16,18H,3-8H2,1-2H3.
What are the key properties of 2-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
2-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol 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-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83992213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).