2-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)aniline

C15H20F4N2 — CID 107303497

IUPAC2-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)aniline
SMILESCC1CCN(CCNc2ccc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C15H20F4N2/c1-11-4-7-21(8-5-11)9-6-20-14-3-2-12(10-13(14)16)15(17,18)19/h2-3,10-11,20H,4-9H2,1H3
InChIKeyCHMZWCZWOATBEL-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.99
Rot. Bonds4

About 2-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)aniline

2-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)aniline (PubChem CID 107303497) has the molecular formula C15H20F4N2 and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)aniline
PubChem CID107303497
Molecular FormulaC15H20F4N2
Molecular Weight304.33 g/mol
Exact Mass304.16
IUPAC Name2-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)aniline
SMILESCC1CCN(CCNc2ccc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C15H20F4N2/c1-11-4-7-21(8-5-11)9-6-20-14-3-2-12(10-13(14)16)15(17,18)19/h2-3,10-11,20H,4-9H2,1H3
InChIKeyCHMZWCZWOATBEL-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)aniline?
The IUPAC name of 2-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)aniline (CID 107303497) is 2-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)aniline is CC1CCN(CCNc2ccc(C(F)(F)F)cc2F)CC1.
What is the InChIKey of 2-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)aniline?
The InChIKey is CHMZWCZWOATBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2/c1-11-4-7-21(8-5-11)9-6-20-14-3-2-12(10-13(14)16)15(17,18)19/h2-3,10-11,20H,4-9H2,1H3.
What are the key properties of 2-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)aniline?
2-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)aniline has a molecular weight of 304.33 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 107303497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).