4-[(3-methoxypiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol

C14H18F3NO2 — CID 102969250

IUPAC4-[(3-methoxypiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol
SMILESCOC1CCCN(Cc2ccc(O)c(C(F)(F)F)c2)C1
InChIInChI=1S/C14H18F3NO2/c1-20-11-3-2-6-18(9-11)8-10-4-5-13(19)12(7-10)14(15,16)17/h4-5,7,11,19H,2-3,6,8-9H2,1H3
InChIKeyFICAQGDIHMPYSK-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.02
Rot. Bonds3

About 4-[(3-methoxypiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol

4-[(3-methoxypiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol (PubChem CID 102969250) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-[(3-methoxypiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-[(3-methoxypiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol
PubChem CID102969250
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name4-[(3-methoxypiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol
SMILESCOC1CCCN(Cc2ccc(O)c(C(F)(F)F)c2)C1
InChIInChI=1S/C14H18F3NO2/c1-20-11-3-2-6-18(9-11)8-10-4-5-13(19)12(7-10)14(15,16)17/h4-5,7,11,19H,2-3,6,8-9H2,1H3
InChIKeyFICAQGDIHMPYSK-UHFFFAOYSA-N
XLogP3.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxypiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol?
The IUPAC name of 4-[(3-methoxypiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol (CID 102969250) is 4-[(3-methoxypiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol.
What is the SMILES notation for 4-[(3-methoxypiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol?
The canonical SMILES for 4-[(3-methoxypiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol is COC1CCCN(Cc2ccc(O)c(C(F)(F)F)c2)C1.
What is the InChIKey of 4-[(3-methoxypiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol?
The InChIKey is FICAQGDIHMPYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-20-11-3-2-6-18(9-11)8-10-4-5-13(19)12(7-10)14(15,16)17/h4-5,7,11,19H,2-3,6,8-9H2,1H3.
What are the key properties of 4-[(3-methoxypiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol?
4-[(3-methoxypiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol has a molecular weight of 289.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxypiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol is sourced from PubChem (CID 102969250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).