4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol

C15H20F3NO — CID 82975162

IUPAC4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol
SMILESCC1CC(C)CN(Cc2ccc(O)c(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3NO/c1-10-5-11(2)8-19(7-10)9-12-3-4-14(20)13(6-12)15(16,17)18/h3-4,6,10-11,20H,5,7-9H2,1-2H3
InChIKeyCAIXIDXNTOTVPS-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.89
Rot. Bonds2

About 4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol

4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol (PubChem CID 82975162) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol
PubChem CID82975162
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol
SMILESCC1CC(C)CN(Cc2ccc(O)c(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3NO/c1-10-5-11(2)8-19(7-10)9-12-3-4-14(20)13(6-12)15(16,17)18/h3-4,6,10-11,20H,5,7-9H2,1-2H3
InChIKeyCAIXIDXNTOTVPS-UHFFFAOYSA-N
XLogP3.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-(trifluoromethyl)phenol
CID 82983584
2-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol
CID 82974406
4-[(3-methoxypyrrolidin-1-yl)methyl]-2-(trifluoromethyl)phenol
CID 103542210
4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol
CID 79015530
4-[(3-methoxypiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol
CID 102969250
2-(trifluoromethyl)-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol
CID 82964689
4-[(4-ethylazepan-1-yl)methyl]-2-(trifluoromethyl)phenol
CID 82965038
ethane;4-ethyl-2-(trifluoromethyl)phenol
CID 143680036
(3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine
CID 784275
1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-3,5-dimethylpiperidine
CID 107079467
3-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]benzoic acid
CID 40801162
5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 122121535

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol?
The IUPAC name of 4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol (CID 82975162) is 4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol.
What is the SMILES notation for 4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol?
The canonical SMILES for 4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol is CC1CC(C)CN(Cc2ccc(O)c(C(F)(F)F)c2)C1.
What is the InChIKey of 4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol?
The InChIKey is CAIXIDXNTOTVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-10-5-11(2)8-19(7-10)9-12-3-4-14(20)13(6-12)15(16,17)18/h3-4,6,10-11,20H,5,7-9H2,1-2H3.
What are the key properties of 4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol?
4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol has a molecular weight of 287.32 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol is sourced from PubChem (CID 82975162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).