4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]aniline

C15H20F4N2 — CID 89112765

IUPAC4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]aniline
SMILESCc1cc(F)c(C2CCN(CCC(F)(F)F)CC2)cc1N
InChIInChI=1S/C15H20F4N2/c1-10-8-13(16)12(9-14(10)20)11-2-5-21(6-3-11)7-4-15(17,18)19/h8-9,11H,2-7,20H2,1H3
InChIKeyDIIQOQKEWBFLDD-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.85
Rot. Bonds3

About 4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]aniline

4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]aniline (PubChem CID 89112765) has the molecular formula C15H20F4N2 and a molecular weight of 304.33 g/mol. Its IUPAC name is 4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]aniline.

Molecular Properties

Compound Name4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]aniline
PubChem CID89112765
Molecular FormulaC15H20F4N2
Molecular Weight304.33 g/mol
Exact Mass304.16
IUPAC Name4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]aniline
SMILESCc1cc(F)c(C2CCN(CCC(F)(F)F)CC2)cc1N
InChIInChI=1S/C15H20F4N2/c1-10-8-13(16)12(9-14(10)20)11-2-5-21(6-3-11)7-4-15(17,18)19/h8-9,11H,2-7,20H2,1H3
InChIKeyDIIQOQKEWBFLDD-UHFFFAOYSA-N
XLogP3.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]aniline?
The IUPAC name of 4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]aniline (CID 89112765) is 4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]aniline.
What is the SMILES notation for 4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]aniline?
The canonical SMILES for 4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]aniline is Cc1cc(F)c(C2CCN(CCC(F)(F)F)CC2)cc1N.
What is the InChIKey of 4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]aniline?
The InChIKey is DIIQOQKEWBFLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2/c1-10-8-13(16)12(9-14(10)20)11-2-5-21(6-3-11)7-4-15(17,18)19/h8-9,11H,2-7,20H2,1H3.
What are the key properties of 4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]aniline?
4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]aniline has a molecular weight of 304.33 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]aniline is sourced from PubChem (CID 89112765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).