2-[1-[5-(3-chlorophenyl)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol

C19H20ClF3N2O — CID 176640363

IUPAC2-[1-[5-(3-chlorophenyl)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol
SMILESOCCC1CCN(c2ncc(-c3cccc(Cl)c3)cc2C(F)(F)F)CC1
InChIInChI=1S/C19H20ClF3N2O/c20-16-3-1-2-14(10-16)15-11-17(19(21,22)23)18(24-12-15)25-7-4-13(5-8-25)6-9-26/h1-3,10-13,26H,4-9H2
InChIKeyLICJWXSRJDUOAF-UHFFFAOYSA-N
MW384.83 g/mol
LogP5.02
Rot. Bonds4

About 2-[1-[5-(3-chlorophenyl)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol

2-[1-[5-(3-chlorophenyl)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol (PubChem CID 176640363) has the molecular formula C19H20ClF3N2O and a molecular weight of 384.83 g/mol. Its IUPAC name is 2-[1-[5-(3-chlorophenyl)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[5-(3-chlorophenyl)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol
PubChem CID176640363
Molecular FormulaC19H20ClF3N2O
Molecular Weight384.83 g/mol
Exact Mass384.12
IUPAC Name2-[1-[5-(3-chlorophenyl)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol
SMILESOCCC1CCN(c2ncc(-c3cccc(Cl)c3)cc2C(F)(F)F)CC1
InChIInChI=1S/C19H20ClF3N2O/c20-16-3-1-2-14(10-16)15-11-17(19(21,22)23)18(24-12-15)25-7-4-13(5-8-25)6-9-26/h1-3,10-13,26H,4-9H2
InChIKeyLICJWXSRJDUOAF-UHFFFAOYSA-N
XLogP5.02
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.83
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(3-chlorophenyl)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-[5-(3-chlorophenyl)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol (CID 176640363) is 2-[1-[5-(3-chlorophenyl)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[5-(3-chlorophenyl)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-[5-(3-chlorophenyl)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol is OCCC1CCN(c2ncc(-c3cccc(Cl)c3)cc2C(F)(F)F)CC1.
What is the InChIKey of 2-[1-[5-(3-chlorophenyl)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol?
The InChIKey is LICJWXSRJDUOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N2O/c20-16-3-1-2-14(10-16)15-11-17(19(21,22)23)18(24-12-15)25-7-4-13(5-8-25)6-9-26/h1-3,10-13,26H,4-9H2.
What are the key properties of 2-[1-[5-(3-chlorophenyl)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol?
2-[1-[5-(3-chlorophenyl)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol has a molecular weight of 384.83 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(3-chlorophenyl)-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 176640363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).