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

C15H27F3N2O — CID 83992483

IUPAC1-[1-cyclohexyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCC(O)C1CC(NCC(F)(F)F)CN(C2CCCCC2)C1
InChIInChI=1S/C15H27F3N2O/c1-11(21)12-7-13(19-10-15(16,17)18)9-20(8-12)14-5-3-2-4-6-14/h11-14,19,21H,2-10H2,1H3
InChIKeyZPXDVYFFQUYTLI-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.54
Rot. Bonds4

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

1-[1-cyclohexyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (PubChem CID 83992483) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-[1-cyclohexyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-cyclohexyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
PubChem CID83992483
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name1-[1-cyclohexyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCC(O)C1CC(NCC(F)(F)F)CN(C2CCCCC2)C1
InChIInChI=1S/C15H27F3N2O/c1-11(21)12-7-13(19-10-15(16,17)18)9-20(8-12)14-5-3-2-4-6-14/h11-14,19,21H,2-10H2,1H3
InChIKeyZPXDVYFFQUYTLI-UHFFFAOYSA-N
XLogP2.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-cyclohexyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The IUPAC name of 1-[1-cyclohexyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (CID 83992483) is 1-[1-cyclohexyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-cyclohexyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 1-[1-cyclohexyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is CC(O)C1CC(NCC(F)(F)F)CN(C2CCCCC2)C1.
What is the InChIKey of 1-[1-cyclohexyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The InChIKey is ZPXDVYFFQUYTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-11(21)12-7-13(19-10-15(16,17)18)9-20(8-12)14-5-3-2-4-6-14/h11-14,19,21H,2-10H2,1H3.
What are the key properties of 1-[1-cyclohexyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
1-[1-cyclohexyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol has a molecular weight of 308.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclohexyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83992483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).