2-[5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,4-triazol-3-yl]-6-fluoro-1H-indole

C23H24FN5 — CID 162364827

IUPAC2-[5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,4-triazol-3-yl]-6-fluoro-1H-indole
SMILESFc1ccc2cc(-c3n[nH]c(CN4CCC(Cc5ccccc5)CC4)n3)[nH]c2c1
InChIInChI=1S/C23H24FN5/c24-19-7-6-18-13-21(25-20(18)14-19)23-26-22(27-28-23)15-29-10-8-17(9-11-29)12-16-4-2-1-3-5-16/h1-7,13-14,17,25H,8-12,15H2,(H,26,27,28)
InChIKeyLBXSXSUCJZAUCC-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.55
Rot. Bonds5

About 2-[5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,4-triazol-3-yl]-6-fluoro-1H-indole

2-[5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,4-triazol-3-yl]-6-fluoro-1H-indole (PubChem CID 162364827) has the molecular formula C23H24FN5 and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-[5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,4-triazol-3-yl]-6-fluoro-1H-indole.

Molecular Properties

Compound Name2-[5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,4-triazol-3-yl]-6-fluoro-1H-indole
PubChem CID162364827
Molecular FormulaC23H24FN5
Molecular Weight389.48 g/mol
Exact Mass389.20
IUPAC Name2-[5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,4-triazol-3-yl]-6-fluoro-1H-indole
SMILESFc1ccc2cc(-c3n[nH]c(CN4CCC(Cc5ccccc5)CC4)n3)[nH]c2c1
InChIInChI=1S/C23H24FN5/c24-19-7-6-18-13-21(25-20(18)14-19)23-26-22(27-28-23)15-29-10-8-17(9-11-29)12-16-4-2-1-3-5-16/h1-7,13-14,17,25H,8-12,15H2,(H,26,27,28)
InChIKeyLBXSXSUCJZAUCC-UHFFFAOYSA-N
XLogP4.55
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,4-triazol-3-yl]-6-fluoro-1H-indole with MolForge

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Related Compounds

2-[5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,4-triazol-3-yl]-1H-indol-5-amine
CID 162364831
2-[5-[[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1H-1,2,4-triazol-3-yl]-1H-indole
CID 162364860
4-benzyl-1-[[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine
CID 162364883
4-benzyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine
CID 162364901
2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane
CID 142062604
5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 42557787
2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-1H-benzimidazole
CID 11325148
4-[(3,4-dichlorophenyl)methyl]-1-[[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine
CID 162364899
4-[(4-fluorophenyl)methyl]-1-(2-naphthalen-2-ylethyl)piperidine
CID 14280679
2-[(1-benzylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyrazine
CID 161026783
1-[[3-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]methyl]piperidin-4-ol
CID 22479764
4-benzyl-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine;hydrochloride
CID 110170320

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,4-triazol-3-yl]-6-fluoro-1H-indole?
The IUPAC name of 2-[5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,4-triazol-3-yl]-6-fluoro-1H-indole (CID 162364827) is 2-[5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,4-triazol-3-yl]-6-fluoro-1H-indole.
What is the SMILES notation for 2-[5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,4-triazol-3-yl]-6-fluoro-1H-indole?
The canonical SMILES for 2-[5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,4-triazol-3-yl]-6-fluoro-1H-indole is Fc1ccc2cc(-c3n[nH]c(CN4CCC(Cc5ccccc5)CC4)n3)[nH]c2c1.
What is the InChIKey of 2-[5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,4-triazol-3-yl]-6-fluoro-1H-indole?
The InChIKey is LBXSXSUCJZAUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5/c24-19-7-6-18-13-21(25-20(18)14-19)23-26-22(27-28-23)15-29-10-8-17(9-11-29)12-16-4-2-1-3-5-16/h1-7,13-14,17,25H,8-12,15H2,(H,26,27,28).
What are the key properties of 2-[5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,4-triazol-3-yl]-6-fluoro-1H-indole?
2-[5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,4-triazol-3-yl]-6-fluoro-1H-indole has a molecular weight of 389.48 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,4-triazol-3-yl]-6-fluoro-1H-indole is sourced from PubChem (CID 162364827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).