3-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-ol

C13H16F3NO2 — CID 114501959

IUPAC3-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-ol
SMILESCC1CNCCC1(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-9-8-17-7-6-12(9,18)10-4-2-3-5-11(10)19-13(14,15)16/h2-5,9,17-18H,6-8H2,1H3
InChIKeyHCXBILZGIFDNQF-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.40
Rot. Bonds2

About 3-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-ol

3-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-ol (PubChem CID 114501959) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-ol
PubChem CID114501959
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name3-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-ol
SMILESCC1CNCCC1(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-9-8-17-7-6-12(9,18)10-4-2-3-5-11(10)19-13(14,15)16/h2-5,9,17-18H,6-8H2,1H3
InChIKeyHCXBILZGIFDNQF-UHFFFAOYSA-N
XLogP2.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-ol?
The IUPAC name of 3-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-ol (CID 114501959) is 3-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-ol.
What is the SMILES notation for 3-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-ol?
The canonical SMILES for 3-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-ol is CC1CNCCC1(O)c1ccccc1OC(F)(F)F.
What is the InChIKey of 3-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-ol?
The InChIKey is HCXBILZGIFDNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-9-8-17-7-6-12(9,18)10-4-2-3-5-11(10)19-13(14,15)16/h2-5,9,17-18H,6-8H2,1H3.
What are the key properties of 3-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-ol?
3-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-ol has a molecular weight of 275.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-ol is sourced from PubChem (CID 114501959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).