2-ethoxy-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenol

C15H20F3NO2 — CID 82966226

IUPAC2-ethoxy-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenol
SMILESCCOc1cccc(CN2CCCC(C(F)(F)F)C2)c1O
InChIInChI=1S/C15H20F3NO2/c1-2-21-13-7-3-5-11(14(13)20)9-19-8-4-6-12(10-19)15(16,17)18/h3,5,7,12,20H,2,4,6,8-10H2,1H3
InChIKeyKPYUYFDOUAJBJW-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.57
Rot. Bonds4

About 2-ethoxy-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenol

2-ethoxy-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenol (PubChem CID 82966226) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-ethoxy-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenol
PubChem CID82966226
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name2-ethoxy-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenol
SMILESCCOc1cccc(CN2CCCC(C(F)(F)F)C2)c1O
InChIInChI=1S/C15H20F3NO2/c1-2-21-13-7-3-5-11(14(13)20)9-19-8-4-6-12(10-19)15(16,17)18/h3,5,7,12,20H,2,4,6,8-10H2,1H3
InChIKeyKPYUYFDOUAJBJW-UHFFFAOYSA-N
XLogP3.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol
CID 61296269
(3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 97313441
2-ethoxy-6-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]phenol
CID 45167838
2-[[3-(3,4-difluoroanilino)piperidin-1-yl]methyl]-6-ethoxyphenol
CID 45241710
(4-chlorophenyl)-[(3S)-1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-3-yl]methanone
CID 25455195
1-[(3-ethoxy-2-hydroxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 103881491
2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol
CID 82977269
2-chloro-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenol
CID 114272041
2-[(3-aminoazetidin-1-yl)methyl]-6-ethoxyphenol
CID 65244962
2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol
CID 92770229
ethyl 2-iodo-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]benzoate
CID 169449794
2-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-ethoxyphenol
CID 45241251

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-ethoxy-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenol (CID 82966226) is 2-ethoxy-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenol is CCOc1cccc(CN2CCCC(C(F)(F)F)C2)c1O.
What is the InChIKey of 2-ethoxy-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenol?
The InChIKey is KPYUYFDOUAJBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-2-21-13-7-3-5-11(14(13)20)9-19-8-4-6-12(10-19)15(16,17)18/h3,5,7,12,20H,2,4,6,8-10H2,1H3.
What are the key properties of 2-ethoxy-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenol?
2-ethoxy-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenol has a molecular weight of 303.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 82966226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).