2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol

C15H20F3NO2 — CID 82966334

IUPAC2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol
SMILESCOc1cc(C(C)N2CCC(C(F)(F)F)CC2)ccc1O
InChIInChI=1S/C15H20F3NO2/c1-10(11-3-4-13(20)14(9-11)21-2)19-7-5-12(6-8-19)15(16,17)18/h3-4,9-10,12,20H,5-8H2,1-2H3
InChIKeyDAHVFDLGHCKHAJ-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.74
Rot. Bonds3

About 2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol

2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol (PubChem CID 82966334) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol
PubChem CID82966334
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol
SMILESCOc1cc(C(C)N2CCC(C(F)(F)F)CC2)ccc1O
InChIInChI=1S/C15H20F3NO2/c1-10(11-3-4-13(20)14(9-11)21-2)19-7-5-12(6-8-19)15(16,17)18/h3-4,9-10,12,20H,5-8H2,1-2H3
InChIKeyDAHVFDLGHCKHAJ-UHFFFAOYSA-N
XLogP3.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-4-(1-piperidin-1-ylethyl)phenol
CID 82977006
4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol
CID 80550597
2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82981169
2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171288751
1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066376
2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 63263171
4-[1-(3,3-dimethylpyrrolidin-1-yl)ethyl]-2-methoxyphenol
CID 82983373
1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 115299885
4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol
CID 77128126
2-methoxy-4-[1-(3-propoxypiperidin-1-yl)ethyl]phenol
CID 82957217
4-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]-2-methoxyphenol
CID 113284221
7-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 82966022

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol?
The IUPAC name of 2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol (CID 82966334) is 2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol is COc1cc(C(C)N2CCC(C(F)(F)F)CC2)ccc1O.
What is the InChIKey of 2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol?
The InChIKey is DAHVFDLGHCKHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-10(11-3-4-13(20)14(9-11)21-2)19-7-5-12(6-8-19)15(16,17)18/h3-4,9-10,12,20H,5-8H2,1-2H3.
What are the key properties of 2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol?
2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol has a molecular weight of 303.32 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol is sourced from PubChem (CID 82966334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).