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

C15H27F3N2O — CID 83992571

IUPAC2-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCC(C1CCC1)N1CC(CCO)CC(NCC(F)(F)F)C1
InChIInChI=1S/C15H27F3N2O/c1-11(13-3-2-4-13)20-8-12(5-6-21)7-14(9-20)19-10-15(16,17)18/h11-14,19,21H,2-10H2,1H3
InChIKeyYCWFLRYUTHDQKZ-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.40
Rot. Bonds6

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

2-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (PubChem CID 83992571) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
PubChem CID83992571
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name2-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCC(C1CCC1)N1CC(CCO)CC(NCC(F)(F)F)C1
InChIInChI=1S/C15H27F3N2O/c1-11(13-3-2-4-13)20-8-12(5-6-21)7-14(9-20)19-10-15(16,17)18/h11-14,19,21H,2-10H2,1H3
InChIKeyYCWFLRYUTHDQKZ-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (CID 83992571) is 2-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is CC(C1CCC1)N1CC(CCO)CC(NCC(F)(F)F)C1.
What is the InChIKey of 2-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The InChIKey is YCWFLRYUTHDQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-11(13-3-2-4-13)20-8-12(5-6-21)7-14(9-20)19-10-15(16,17)18/h11-14,19,21H,2-10H2,1H3.
What are the key properties of 2-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
2-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol has a molecular weight of 308.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83992571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).