2-phenyl-3-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1H-indole

C27H25F3N2 — CID 11281945

IUPAC2-phenyl-3-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1H-indole
SMILESFC(F)(F)c1ccc(C2CCN(Cc3c(-c4ccccc4)[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C27H25F3N2/c28-27(29,30)22-12-10-19(11-13-22)20-14-16-32(17-15-20)18-24-23-8-4-5-9-25(23)31-26(24)21-6-2-1-3-7-21/h1-13,20,31H,14-18H2
InChIKeyXYVLAICUFKABDD-UHFFFAOYSA-N
MW434.51 g/mol
LogP7.23
Rot. Bonds4

About 2-phenyl-3-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1H-indole

2-phenyl-3-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1H-indole (PubChem CID 11281945) has the molecular formula C27H25F3N2 and a molecular weight of 434.51 g/mol. Its IUPAC name is 2-phenyl-3-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name2-phenyl-3-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1H-indole
PubChem CID11281945
Molecular FormulaC27H25F3N2
Molecular Weight434.51 g/mol
Exact Mass434.20
IUPAC Name2-phenyl-3-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1H-indole
SMILESFC(F)(F)c1ccc(C2CCN(Cc3c(-c4ccccc4)[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C27H25F3N2/c28-27(29,30)22-12-10-19(11-13-22)20-14-16-32(17-15-20)18-24-23-8-4-5-9-25(23)31-26(24)21-6-2-1-3-7-21/h1-13,20,31H,14-18H2
InChIKeyXYVLAICUFKABDD-UHFFFAOYSA-N
XLogP7.23
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.51
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1H-indole?
The IUPAC name of 2-phenyl-3-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1H-indole (CID 11281945) is 2-phenyl-3-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 2-phenyl-3-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1H-indole?
The canonical SMILES for 2-phenyl-3-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1H-indole is FC(F)(F)c1ccc(C2CCN(Cc3c(-c4ccccc4)[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 2-phenyl-3-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1H-indole?
The InChIKey is XYVLAICUFKABDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N2/c28-27(29,30)22-12-10-19(11-13-22)20-14-16-32(17-15-20)18-24-23-8-4-5-9-25(23)31-26(24)21-6-2-1-3-7-21/h1-13,20,31H,14-18H2.
What are the key properties of 2-phenyl-3-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1H-indole?
2-phenyl-3-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1H-indole has a molecular weight of 434.51 g/mol, XLogP of 7.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 11281945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).