2-[4-(N-[4-(trifluoromethyl)phenyl]anilino)piperidin-1-yl]acetic acid

C20H21F3N2O2 — CID 42641763

IUPAC2-[4-(N-[4-(trifluoromethyl)phenyl]anilino)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(N(c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)15-6-8-17(9-7-15)25(16-4-2-1-3-5-16)18-10-12-24(13-11-18)14-19(26)27/h1-9,18H,10-14H2,(H,26,27)
InChIKeyFESOSUIYCYMZJM-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.39
Rot. Bonds5

About 2-[4-(N-[4-(trifluoromethyl)phenyl]anilino)piperidin-1-yl]acetic acid

2-[4-(N-[4-(trifluoromethyl)phenyl]anilino)piperidin-1-yl]acetic acid (PubChem CID 42641763) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2-[4-(N-[4-(trifluoromethyl)phenyl]anilino)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(N-[4-(trifluoromethyl)phenyl]anilino)piperidin-1-yl]acetic acid
PubChem CID42641763
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name2-[4-(N-[4-(trifluoromethyl)phenyl]anilino)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(N(c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)15-6-8-17(9-7-15)25(16-4-2-1-3-5-16)18-10-12-24(13-11-18)14-19(26)27/h1-9,18H,10-14H2,(H,26,27)
InChIKeyFESOSUIYCYMZJM-UHFFFAOYSA-N
XLogP4.39
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(N-[4-(trifluoromethyl)phenyl]anilino)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(N-[4-(trifluoromethyl)phenyl]anilino)piperidin-1-yl]acetic acid (CID 42641763) is 2-[4-(N-[4-(trifluoromethyl)phenyl]anilino)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(N-[4-(trifluoromethyl)phenyl]anilino)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(N-[4-(trifluoromethyl)phenyl]anilino)piperidin-1-yl]acetic acid is O=C(O)CN1CCC(N(c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-[4-(N-[4-(trifluoromethyl)phenyl]anilino)piperidin-1-yl]acetic acid?
The InChIKey is FESOSUIYCYMZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c21-20(22,23)15-6-8-17(9-7-15)25(16-4-2-1-3-5-16)18-10-12-24(13-11-18)14-19(26)27/h1-9,18H,10-14H2,(H,26,27).
What are the key properties of 2-[4-(N-[4-(trifluoromethyl)phenyl]anilino)piperidin-1-yl]acetic acid?
2-[4-(N-[4-(trifluoromethyl)phenyl]anilino)piperidin-1-yl]acetic acid has a molecular weight of 378.39 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(N-[4-(trifluoromethyl)phenyl]anilino)piperidin-1-yl]acetic acid is sourced from PubChem (CID 42641763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).