2-(3-methoxypiperidin-1-yl)-5-(trifluoromethyl)aniline

C13H17F3N2O — CID 102955751

IUPAC2-(3-methoxypiperidin-1-yl)-5-(trifluoromethyl)aniline
SMILESCOC1CCCN(c2ccc(C(F)(F)F)cc2N)C1
InChIInChI=1S/C13H17F3N2O/c1-19-10-3-2-6-18(8-10)12-5-4-9(7-11(12)17)13(14,15)16/h4-5,7,10H,2-3,6,8,17H2,1H3
InChIKeyXZBROWDTUFOBAE-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.90
Rot. Bonds2

About 2-(3-methoxypiperidin-1-yl)-5-(trifluoromethyl)aniline

2-(3-methoxypiperidin-1-yl)-5-(trifluoromethyl)aniline (PubChem CID 102955751) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-(3-methoxypiperidin-1-yl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(3-methoxypiperidin-1-yl)-5-(trifluoromethyl)aniline
PubChem CID102955751
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2-(3-methoxypiperidin-1-yl)-5-(trifluoromethyl)aniline
SMILESCOC1CCCN(c2ccc(C(F)(F)F)cc2N)C1
InChIInChI=1S/C13H17F3N2O/c1-19-10-3-2-6-18(8-10)12-5-4-9(7-11(12)17)13(14,15)16/h4-5,7,10H,2-3,6,8,17H2,1H3
InChIKeyXZBROWDTUFOBAE-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-1-yl)-5-(trifluoromethyl)aniline
CID 58829519
1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 16784735
2-[4-[2-amino-4-(trifluoromethyl)phenyl]piperazin-1-yl]-5-(trifluoromethyl)aniline
CID 102226461
2-[4-(3-methoxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]ethanamine
CID 102968834
[1-[2-chloro-4-(trifluoromethyl)phenyl]piperidin-3-yl] carbamate
CID 175145028
5-(trifluoromethyl)-2-(3,4,5-trimethylpiperazin-1-yl)aniline
CID 114543002
[3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine
CID 102955941
1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 106835243
5-amino-2-(3-methoxypiperidin-1-yl)benzenesulfonamide
CID 102955753
methyl 2-amino-4-fluoro-5-(3-methoxypiperidin-1-yl)benzoate
CID 102964172
3-amino-4-(3-methoxypyrrolidin-1-yl)benzamide
CID 103530522
1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine
CID 102968801

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypiperidin-1-yl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-(3-methoxypiperidin-1-yl)-5-(trifluoromethyl)aniline (CID 102955751) is 2-(3-methoxypiperidin-1-yl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(3-methoxypiperidin-1-yl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-(3-methoxypiperidin-1-yl)-5-(trifluoromethyl)aniline is COC1CCCN(c2ccc(C(F)(F)F)cc2N)C1.
What is the InChIKey of 2-(3-methoxypiperidin-1-yl)-5-(trifluoromethyl)aniline?
The InChIKey is XZBROWDTUFOBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-19-10-3-2-6-18(8-10)12-5-4-9(7-11(12)17)13(14,15)16/h4-5,7,10H,2-3,6,8,17H2,1H3.
What are the key properties of 2-(3-methoxypiperidin-1-yl)-5-(trifluoromethyl)aniline?
2-(3-methoxypiperidin-1-yl)-5-(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 2-(3-methoxypiperidin-1-yl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 102955751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).