4-[6-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperidin-4-ol

C11H15F3N2O — CID 68894269

IUPAC4-[6-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperidin-4-ol
SMILESOC1(C2C=CC=C(C(F)(F)F)N2)CCNCC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)9-3-1-2-8(16-9)10(17)4-6-15-7-5-10/h1-3,8,15-17H,4-7H2
InChIKeyPJQALJZCZYURCT-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.08
Rot. Bonds1

About 4-[6-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperidin-4-ol

4-[6-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperidin-4-ol (PubChem CID 68894269) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-[6-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-[6-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperidin-4-ol
PubChem CID68894269
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name4-[6-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperidin-4-ol
SMILESOC1(C2C=CC=C(C(F)(F)F)N2)CCNCC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)9-3-1-2-8(16-9)10(17)4-6-15-7-5-10/h1-3,8,15-17H,4-7H2
InChIKeyPJQALJZCZYURCT-UHFFFAOYSA-N
XLogP1.08
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperidin-4-ol?
The IUPAC name of 4-[6-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperidin-4-ol (CID 68894269) is 4-[6-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperidin-4-ol.
What is the SMILES notation for 4-[6-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperidin-4-ol?
The canonical SMILES for 4-[6-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperidin-4-ol is OC1(C2C=CC=C(C(F)(F)F)N2)CCNCC1.
What is the InChIKey of 4-[6-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperidin-4-ol?
The InChIKey is PJQALJZCZYURCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-11(13,14)9-3-1-2-8(16-9)10(17)4-6-15-7-5-10/h1-3,8,15-17H,4-7H2.
What are the key properties of 4-[6-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperidin-4-ol?
4-[6-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperidin-4-ol has a molecular weight of 248.25 g/mol, XLogP of 1.08, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperidin-4-ol is sourced from PubChem (CID 68894269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).