2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]-5-(trifluoromethyl)aniline

C14H18F4N2 — CID 63038399

IUPAC2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]-5-(trifluoromethyl)aniline
SMILESCN1CCCCC1CNc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H18F4N2/c1-20-7-3-2-4-11(20)9-19-13-8-10(14(16,17)18)5-6-12(13)15/h5-6,8,11,19H,2-4,7,9H2,1H3
InChIKeyRXZJUEAAGOCXDO-UHFFFAOYSA-N
MW290.30 g/mol
LogP3.74
Rot. Bonds3

About 2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]-5-(trifluoromethyl)aniline

2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]-5-(trifluoromethyl)aniline (PubChem CID 63038399) has the molecular formula C14H18F4N2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]-5-(trifluoromethyl)aniline
PubChem CID63038399
Molecular FormulaC14H18F4N2
Molecular Weight290.30 g/mol
Exact Mass290.14
IUPAC Name2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]-5-(trifluoromethyl)aniline
SMILESCN1CCCCC1CNc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H18F4N2/c1-20-7-3-2-4-11(20)9-19-13-8-10(14(16,17)18)5-6-12(13)15/h5-6,8,11,19H,2-4,7,9H2,1H3
InChIKeyRXZJUEAAGOCXDO-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]-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

2,5-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62654307
2,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83953736
4-chloro-2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62658635
2,6-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62655066
2,4-difluoro-5-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62654717
5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 106026915
5-fluoro-2-[(1-methylpiperidin-2-yl)methylamino]benzonitrile
CID 63672584
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 55144195
2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 63427545
2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)aniline
CID 82886090
1-(1-methylpyrrolidin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 103626362
2-fluoro-N-prop-2-ynyl-5-(trifluoromethyl)aniline
CID 63036318

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]-5-(trifluoromethyl)aniline (CID 63038399) is 2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]-5-(trifluoromethyl)aniline is CN1CCCCC1CNc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]-5-(trifluoromethyl)aniline?
The InChIKey is RXZJUEAAGOCXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2/c1-20-7-3-2-4-11(20)9-19-13-8-10(14(16,17)18)5-6-12(13)15/h5-6,8,11,19H,2-4,7,9H2,1H3.
What are the key properties of 2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]-5-(trifluoromethyl)aniline?
2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]-5-(trifluoromethyl)aniline has a molecular weight of 290.30 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 63038399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).