1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol

C11H12ClF3N2O — CID 1486943

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C11H12ClF3N2O/c12-9-5-7(11(13,14)15)6-16-10(9)17-3-1-8(18)2-4-17/h5-6,8,18H,1-4H2
InChIKeyQFDHQYSCNBOECL-UHFFFAOYSA-N
MW280.68 g/mol
LogP2.71
Rot. Bonds1

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol (PubChem CID 1486943) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
PubChem CID1486943
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C11H12ClF3N2O/c12-9-5-7(11(13,14)15)6-16-10(9)17-3-1-8(18)2-4-17/h5-6,8,18H,1-4H2
InChIKeyQFDHQYSCNBOECL-UHFFFAOYSA-N
XLogP2.71
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol (CID 1486943) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol is OC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
The InChIKey is QFDHQYSCNBOECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O/c12-9-5-7(11(13,14)15)6-16-10(9)17-3-1-8(18)2-4-17/h5-6,8,18H,1-4H2.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol has a molecular weight of 280.68 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 1486943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).