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

C21H21F3N2 — CID 91567280

IUPAC2-piperidin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole
SMILESFC(F)(F)c1ccc(Cn2c(C3CCNCC3)cc3ccccc32)cc1
InChIInChI=1S/C21H21F3N2/c22-21(23,24)18-7-5-15(6-8-18)14-26-19-4-2-1-3-17(19)13-20(26)16-9-11-25-12-10-16/h1-8,13,16,25H,9-12,14H2
InChIKeyCRVCKUZCSSBTOT-UHFFFAOYSA-N
MW358.41 g/mol
LogP5.18
Rot. Bonds3

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

2-piperidin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole (PubChem CID 91567280) has the molecular formula C21H21F3N2 and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-piperidin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole.

Molecular Properties

Compound Name2-piperidin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole
PubChem CID91567280
Molecular FormulaC21H21F3N2
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name2-piperidin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole
SMILESFC(F)(F)c1ccc(Cn2c(C3CCNCC3)cc3ccccc32)cc1
InChIInChI=1S/C21H21F3N2/c22-21(23,24)18-7-5-15(6-8-18)14-26-19-4-2-1-3-17(19)13-20(26)16-9-11-25-12-10-16/h1-8,13,16,25H,9-12,14H2
InChIKeyCRVCKUZCSSBTOT-UHFFFAOYSA-N
XLogP5.18
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.41
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole?
The IUPAC name of 2-piperidin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole (CID 91567280) is 2-piperidin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole.
What is the SMILES notation for 2-piperidin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole?
The canonical SMILES for 2-piperidin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole is FC(F)(F)c1ccc(Cn2c(C3CCNCC3)cc3ccccc32)cc1.
What is the InChIKey of 2-piperidin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole?
The InChIKey is CRVCKUZCSSBTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2/c22-21(23,24)18-7-5-15(6-8-18)14-26-19-4-2-1-3-17(19)13-20(26)16-9-11-25-12-10-16/h1-8,13,16,25H,9-12,14H2.
What are the key properties of 2-piperidin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole?
2-piperidin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole has a molecular weight of 358.41 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indole is sourced from PubChem (CID 91567280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).