2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)aniline

C14H19F3N2O — CID 19627079

IUPAC2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)aniline
SMILESCN1CCCC(COc2ccc(C(F)(F)F)cc2N)C1
InChIInChI=1S/C14H19F3N2O/c1-19-6-2-3-10(8-19)9-20-13-5-4-11(7-12(13)18)14(15,16)17/h4-5,7,10H,2-3,6,8-9,18H2,1H3
InChIKeyPKHLSFWQNCAPIH-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.01
Rot. Bonds3

About 2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)aniline

2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)aniline (PubChem CID 19627079) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)aniline
PubChem CID19627079
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)aniline
SMILESCN1CCCC(COc2ccc(C(F)(F)F)cc2N)C1
InChIInChI=1S/C14H19F3N2O/c1-19-6-2-3-10(8-19)9-20-13-5-4-11(7-12(13)18)14(15,16)17/h4-5,7,10H,2-3,6,8-9,18H2,1H3
InChIKeyPKHLSFWQNCAPIH-UHFFFAOYSA-N
XLogP3.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1-methylpiperidin-3-yl)methoxy]-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

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)aniline (CID 19627079) is 2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)aniline is CN1CCCC(COc2ccc(C(F)(F)F)cc2N)C1.
What is the InChIKey of 2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)aniline?
The InChIKey is PKHLSFWQNCAPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-19-6-2-3-10(8-19)9-20-13-5-4-11(7-12(13)18)14(15,16)17/h4-5,7,10H,2-3,6,8-9,18H2,1H3.
What are the key properties of 2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)aniline?
2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)aniline has a molecular weight of 288.31 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-3-yl)methoxy]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 19627079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).