1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol

C11H13F3N2O2 — CID 133488109

IUPAC1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol
SMILESOC1CCCN(c2ccc(OC(F)(F)F)cn2)C1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)18-9-3-4-10(15-6-9)16-5-1-2-8(17)7-16/h3-4,6,8,17H,1-2,5,7H2
InChIKeyIWZKIQIUKQBVBI-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.94
Rot. Bonds2

About 1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol

1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol (PubChem CID 133488109) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol
PubChem CID133488109
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol
SMILESOC1CCCN(c2ccc(OC(F)(F)F)cn2)C1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)18-9-3-4-10(15-6-9)16-5-1-2-8(17)7-16/h3-4,6,8,17H,1-2,5,7H2
InChIKeyIWZKIQIUKQBVBI-UHFFFAOYSA-N
XLogP1.94
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol
CID 71226421
1-[5-(trifluoromethoxy)-2-pyridinyl]azepane
CID 133487864
(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-ol
CID 58565962
2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine
CID 133493218
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
1-[3-(trifluoromethoxy)phenyl]piperidin-3-ol
CID 58973484
(3R)-1-[2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-3-ol
CID 99928309
(3aS,6aS)-5-[5-(trifluoromethoxy)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 169122874
1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
CID 133488140
2-[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]ethanol
CID 133488124
2-[(3R)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethoxy)pyridine
CID 99837649
(3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol
CID 26458695

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol?
The IUPAC name of 1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol (CID 133488109) is 1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol.
What is the SMILES notation for 1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol?
The canonical SMILES for 1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol is OC1CCCN(c2ccc(OC(F)(F)F)cn2)C1.
What is the InChIKey of 1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol?
The InChIKey is IWZKIQIUKQBVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)18-9-3-4-10(15-6-9)16-5-1-2-8(17)7-16/h3-4,6,8,17H,1-2,5,7H2.
What are the key properties of 1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol?
1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol has a molecular weight of 262.23 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 133488109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).