2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid;piperidine

C21H23FN2O2 — CID 161400298

IUPAC2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid;piperidine
SMILESC1CCNCC1.O=C(O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C16H12FNO2.C5H11N/c17-11-7-5-10(6-8-11)16-13(9-15(19)20)12-3-1-2-4-14(12)18-16;1-2-4-6-5-3-1/h1-8,18H,9H2,(H,19,20);6H,1-5H2
InChIKeyVUDODGGPBGGBGQ-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.36
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid;piperidine

2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid;piperidine (PubChem CID 161400298) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid;piperidine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid;piperidine
PubChem CID161400298
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid;piperidine
SMILESC1CCNCC1.O=C(O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C16H12FNO2.C5H11N/c17-11-7-5-10(6-8-11)16-13(9-15(19)20)12-3-1-2-4-14(12)18-16;1-2-4-6-5-3-1/h1-8,18H,9H2,(H,19,20);6H,1-5H2
InChIKeyVUDODGGPBGGBGQ-UHFFFAOYSA-N
XLogP4.36
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid;piperidine?
The IUPAC name of 2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid;piperidine (CID 161400298) is 2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid;piperidine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid;piperidine?
The canonical SMILES for 2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid;piperidine is C1CCNCC1.O=C(O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12.
What is the InChIKey of 2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid;piperidine?
The InChIKey is VUDODGGPBGGBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2.C5H11N/c17-11-7-5-10(6-8-11)16-13(9-15(19)20)12-3-1-2-4-14(12)18-16;1-2-4-6-5-3-1/h1-8,18H,9H2,(H,19,20);6H,1-5H2.
What are the key properties of 2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid;piperidine?
2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid;piperidine has a molecular weight of 354.43 g/mol, XLogP of 4.36, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid;piperidine is sourced from PubChem (CID 161400298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).