2-(piperidin-3-ylmethoxy)-5-(trifluoromethyl)aniline

C13H17F3N2O — CID 117095791

IUPAC2-(piperidin-3-ylmethoxy)-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1OCC1CCCNC1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)10-3-4-12(11(17)6-10)19-8-9-2-1-5-18-7-9/h3-4,6,9,18H,1-2,5,7-8,17H2
InChIKeyKRAGDIKJADDGQZ-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.67
Rot. Bonds3

About 2-(piperidin-3-ylmethoxy)-5-(trifluoromethyl)aniline

2-(piperidin-3-ylmethoxy)-5-(trifluoromethyl)aniline (PubChem CID 117095791) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethoxy)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(piperidin-3-ylmethoxy)-5-(trifluoromethyl)aniline
PubChem CID117095791
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2-(piperidin-3-ylmethoxy)-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1OCC1CCCNC1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)10-3-4-12(11(17)6-10)19-8-9-2-1-5-18-7-9/h3-4,6,9,18H,1-2,5,7-8,17H2
InChIKeyKRAGDIKJADDGQZ-UHFFFAOYSA-N
XLogP2.67
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(piperidin-3-ylmethoxy)-5-(trifluoromethyl)aniline 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-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide
CID 67303342
3-[[2-bromo-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 115512109
2-(azepan-4-yloxy)-5-(trifluoromethyl)aniline
CID 117095757
(3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine
CID 92670023
(3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 58737388
2-[[(2S)-1-methylazetidin-2-yl]methoxy]-5-(trifluoromethyl)aniline
CID 150636929
2-fluoro-4-(piperidin-3-ylmethoxy)aniline;dihydrochloride
CID 164576780
(3R)-3-[[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]methyl]piperidine
CID 86322185
(3S)-3-[(2,4-ditert-butylphenoxy)methyl]pyrrolidine
CID 86320135
4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine
CID 158221465
3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride
CID 56831044
2-(piperidin-3-ylmethoxy)-6-(trifluoromethyl)pyridine
CID 62348885

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethoxy)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-(piperidin-3-ylmethoxy)-5-(trifluoromethyl)aniline (CID 117095791) is 2-(piperidin-3-ylmethoxy)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(piperidin-3-ylmethoxy)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-(piperidin-3-ylmethoxy)-5-(trifluoromethyl)aniline is Nc1cc(C(F)(F)F)ccc1OCC1CCCNC1.
What is the InChIKey of 2-(piperidin-3-ylmethoxy)-5-(trifluoromethyl)aniline?
The InChIKey is KRAGDIKJADDGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)10-3-4-12(11(17)6-10)19-8-9-2-1-5-18-7-9/h3-4,6,9,18H,1-2,5,7-8,17H2.
What are the key properties of 2-(piperidin-3-ylmethoxy)-5-(trifluoromethyl)aniline?
2-(piperidin-3-ylmethoxy)-5-(trifluoromethyl)aniline has a molecular weight of 274.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethoxy)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 117095791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).