4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)aniline

C13H17F3N2O — CID 50989293

IUPAC4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)aniline
SMILESCOC1CCN(c2ccc(N)cc2C(F)(F)F)CC1
InChIInChI=1S/C13H17F3N2O/c1-19-10-4-6-18(7-5-10)12-3-2-9(17)8-11(12)13(14,15)16/h2-3,8,10H,4-7,17H2,1H3
InChIKeyFCWXYJWNGQDTBG-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.90
Rot. Bonds2

About 4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)aniline

4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)aniline (PubChem CID 50989293) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)aniline
PubChem CID50989293
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)aniline
SMILESCOC1CCN(c2ccc(N)cc2C(F)(F)F)CC1
InChIInChI=1S/C13H17F3N2O/c1-19-10-4-6-18(7-5-10)12-3-2-9(17)8-11(12)13(14,15)16/h2-3,8,10H,4-7,17H2,1H3
InChIKeyFCWXYJWNGQDTBG-UHFFFAOYSA-N
XLogP2.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-Amino-5-(diethylamino)toluene
CID 67364
4-(Morpholin-4-yl)-2-(trifluoromethyl)aniline
CID 822225
4-(4-Ethylpiperazin-1-yl)-2-methylaniline
CID 2125324
2-Methyl-4-(N-ethyl-N-(beta-hydroxyethyl)amino)aniline
CID 75383
1-((3-Aminophenyl)methyl)piperidin-4-ol
CID 20121155
4-(4-Ethylpiperazin-1-yl)-3-methylaniline
CID 2118783
4-(4-Ethylpiperazin-1-yl)-3-methylaniline;hydrochloride
CID 16196115
2-Methyl-4-(4-methylpiperazin-1-yl)aniline
CID 2116868
1-[2-(1-Aminoethyl)-4-fluorophenyl]piperidin-4-ol
CID 43188858
4-Piperidin-1-yl-3-trifluoromethyl-phenylamine
CID 6500399
4-(3-Trifluoromethylphenyl)-piperazin-1-yl-ethanol
CID 23331704
N-[4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 53559541

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)aniline (CID 50989293) is 4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)aniline is COC1CCN(c2ccc(N)cc2C(F)(F)F)CC1.
What is the InChIKey of 4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)aniline?
The InChIKey is FCWXYJWNGQDTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-19-10-4-6-18(7-5-10)12-3-2-9(17)8-11(12)13(14,15)16/h2-3,8,10H,4-7,17H2,1H3.
What are the key properties of 4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)aniline?
4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)aniline has a molecular weight of 274.29 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 50989293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).