4-methyl-1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol

C16H22F3NO2 — CID 121418449

IUPAC4-methyl-1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol
SMILESCC1(O)CCN(CCCOc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H22F3NO2/c1-15(21)7-10-20(11-8-15)9-4-12-22-14-6-3-2-5-13(14)16(17,18)19/h2-3,5-6,21H,4,7-12H2,1H3
InChIKeyFLITWOFCKRHAIY-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.32
Rot. Bonds5

About 4-methyl-1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol

4-methyl-1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol (PubChem CID 121418449) has the molecular formula C16H22F3NO2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-methyl-1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol
PubChem CID121418449
Molecular FormulaC16H22F3NO2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name4-methyl-1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol
SMILESCC1(O)CCN(CCCOc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H22F3NO2/c1-15(21)7-10-20(11-8-15)9-4-12-22-14-6-3-2-5-13(14)16(17,18)19/h2-3,5-6,21H,4,7-12H2,1H3
InChIKeyFLITWOFCKRHAIY-UHFFFAOYSA-N
XLogP3.32
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-ol
CID 110910733
1,3-dimethyl-6-[4-[3-[2-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]pyrimidine-2,4-dione
CID 19011897
1-[3-(2-tert-butylphenoxy)propyl]piperazine
CID 2194690
methanol;4-methyl-4-(2-nitrophenoxy)-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine;2-[4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]oxyaniline
CID 160752683
1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol
CID 81098070
3-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-ol
CID 113250145
1-[4-(2-tert-butylphenoxy)butyl]piperidine
CID 2057725
(4R)-4-(hydroxymethyl)-1-[3-(2-methoxyphenoxy)propyl]azepan-4-ol
CID 95707159
1-[[2-(trifluoromethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65213996
5-[2-(trifluoromethyl)phenoxy]pentan-2-one
CID 43793519
N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62451818
4-ethynyl-4-(4-nitrophenoxy)-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 121418565

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol?
The IUPAC name of 4-methyl-1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol (CID 121418449) is 4-methyl-1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol?
The canonical SMILES for 4-methyl-1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol is CC1(O)CCN(CCCOc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol?
The InChIKey is FLITWOFCKRHAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO2/c1-15(21)7-10-20(11-8-15)9-4-12-22-14-6-3-2-5-13(14)16(17,18)19/h2-3,5-6,21H,4,7-12H2,1H3.
What are the key properties of 4-methyl-1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol?
4-methyl-1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol has a molecular weight of 317.35 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol is sourced from PubChem (CID 121418449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).