1-[(1-benzylpiperidin-4-yl)methyl]-5-fluoroindole-3-carboxylic acid

C22H23FN2O2 — CID 18385292

IUPAC1-[(1-benzylpiperidin-4-yl)methyl]-5-fluoroindole-3-carboxylic acid
SMILESO=C(O)c1cn(CC2CCN(Cc3ccccc3)CC2)c2ccc(F)cc12
InChIInChI=1S/C22H23FN2O2/c23-18-6-7-21-19(12-18)20(22(26)27)15-25(21)14-17-8-10-24(11-9-17)13-16-4-2-1-3-5-16/h1-7,12,15,17H,8-11,13-14H2,(H,26,27)
InChIKeyFZMAYFJBVVBSFV-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.39
Rot. Bonds5

About 1-[(1-benzylpiperidin-4-yl)methyl]-5-fluoroindole-3-carboxylic acid

1-[(1-benzylpiperidin-4-yl)methyl]-5-fluoroindole-3-carboxylic acid (PubChem CID 18385292) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-[(1-benzylpiperidin-4-yl)methyl]-5-fluoroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-benzylpiperidin-4-yl)methyl]-5-fluoroindole-3-carboxylic acid
PubChem CID18385292
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name1-[(1-benzylpiperidin-4-yl)methyl]-5-fluoroindole-3-carboxylic acid
SMILESO=C(O)c1cn(CC2CCN(Cc3ccccc3)CC2)c2ccc(F)cc12
InChIInChI=1S/C22H23FN2O2/c23-18-6-7-21-19(12-18)20(22(26)27)15-25(21)14-17-8-10-24(11-9-17)13-16-4-2-1-3-5-16/h1-7,12,15,17H,8-11,13-14H2,(H,26,27)
InChIKeyFZMAYFJBVVBSFV-UHFFFAOYSA-N
XLogP4.39
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpiperidin-4-yl)methyl]-5-fluoroindole-3-carboxylic acid?
The IUPAC name of 1-[(1-benzylpiperidin-4-yl)methyl]-5-fluoroindole-3-carboxylic acid (CID 18385292) is 1-[(1-benzylpiperidin-4-yl)methyl]-5-fluoroindole-3-carboxylic acid.
What is the SMILES notation for 1-[(1-benzylpiperidin-4-yl)methyl]-5-fluoroindole-3-carboxylic acid?
The canonical SMILES for 1-[(1-benzylpiperidin-4-yl)methyl]-5-fluoroindole-3-carboxylic acid is O=C(O)c1cn(CC2CCN(Cc3ccccc3)CC2)c2ccc(F)cc12.
What is the InChIKey of 1-[(1-benzylpiperidin-4-yl)methyl]-5-fluoroindole-3-carboxylic acid?
The InChIKey is FZMAYFJBVVBSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-18-6-7-21-19(12-18)20(22(26)27)15-25(21)14-17-8-10-24(11-9-17)13-16-4-2-1-3-5-16/h1-7,12,15,17H,8-11,13-14H2,(H,26,27).
What are the key properties of 1-[(1-benzylpiperidin-4-yl)methyl]-5-fluoroindole-3-carboxylic acid?
1-[(1-benzylpiperidin-4-yl)methyl]-5-fluoroindole-3-carboxylic acid has a molecular weight of 366.44 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 1-[(1-benzylpiperidin-4-yl)methyl]-5-fluoroindole-3-carboxylic acid is sourced from PubChem (CID 18385292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).