1,2-dimethyl-5-(2,2,2-trifluoro-1-piperidin-1-ylethyl)-2H-pyridin-3-ol

C14H21F3N2O — CID 141299359

IUPAC1,2-dimethyl-5-(2,2,2-trifluoro-1-piperidin-1-ylethyl)-2H-pyridin-3-ol
SMILESCC1C(O)=CC(C(N2CCCCC2)C(F)(F)F)=CN1C
InChIInChI=1S/C14H21F3N2O/c1-10-12(20)8-11(9-18(10)2)13(14(15,16)17)19-6-4-3-5-7-19/h8-10,13,20H,3-7H2,1-2H3
InChIKeyZEXOESNIBFARHI-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.06
Rot. Bonds2

About 1,2-dimethyl-5-(2,2,2-trifluoro-1-piperidin-1-ylethyl)-2H-pyridin-3-ol

1,2-dimethyl-5-(2,2,2-trifluoro-1-piperidin-1-ylethyl)-2H-pyridin-3-ol (PubChem CID 141299359) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 1,2-dimethyl-5-(2,2,2-trifluoro-1-piperidin-1-ylethyl)-2H-pyridin-3-ol.

Molecular Properties

Compound Name1,2-dimethyl-5-(2,2,2-trifluoro-1-piperidin-1-ylethyl)-2H-pyridin-3-ol
PubChem CID141299359
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name1,2-dimethyl-5-(2,2,2-trifluoro-1-piperidin-1-ylethyl)-2H-pyridin-3-ol
SMILESCC1C(O)=CC(C(N2CCCCC2)C(F)(F)F)=CN1C
InChIInChI=1S/C14H21F3N2O/c1-10-12(20)8-11(9-18(10)2)13(14(15,16)17)19-6-4-3-5-7-19/h8-10,13,20H,3-7H2,1-2H3
InChIKeyZEXOESNIBFARHI-UHFFFAOYSA-N
XLogP3.06
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-(2,2,2-trifluoro-1-piperidin-1-ylethyl)-2H-pyridin-3-ol?
The IUPAC name of 1,2-dimethyl-5-(2,2,2-trifluoro-1-piperidin-1-ylethyl)-2H-pyridin-3-ol (CID 141299359) is 1,2-dimethyl-5-(2,2,2-trifluoro-1-piperidin-1-ylethyl)-2H-pyridin-3-ol.
What is the SMILES notation for 1,2-dimethyl-5-(2,2,2-trifluoro-1-piperidin-1-ylethyl)-2H-pyridin-3-ol?
The canonical SMILES for 1,2-dimethyl-5-(2,2,2-trifluoro-1-piperidin-1-ylethyl)-2H-pyridin-3-ol is CC1C(O)=CC(C(N2CCCCC2)C(F)(F)F)=CN1C.
What is the InChIKey of 1,2-dimethyl-5-(2,2,2-trifluoro-1-piperidin-1-ylethyl)-2H-pyridin-3-ol?
The InChIKey is ZEXOESNIBFARHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-10-12(20)8-11(9-18(10)2)13(14(15,16)17)19-6-4-3-5-7-19/h8-10,13,20H,3-7H2,1-2H3.
What are the key properties of 1,2-dimethyl-5-(2,2,2-trifluoro-1-piperidin-1-ylethyl)-2H-pyridin-3-ol?
1,2-dimethyl-5-(2,2,2-trifluoro-1-piperidin-1-ylethyl)-2H-pyridin-3-ol has a molecular weight of 290.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-(2,2,2-trifluoro-1-piperidin-1-ylethyl)-2H-pyridin-3-ol is sourced from PubChem (CID 141299359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).