5-fluoro-1-octyl-3-(piperidin-1-ylmethyl)indole

C22H33FN2 — CID 50916158

IUPAC5-fluoro-1-octyl-3-(piperidin-1-ylmethyl)indole
SMILESCCCCCCCCn1cc(CN2CCCCC2)c2cc(F)ccc21
InChIInChI=1S/C22H33FN2/c1-2-3-4-5-6-10-15-25-18-19(17-24-13-8-7-9-14-24)21-16-20(23)11-12-22(21)25/h11-12,16,18H,2-10,13-15,17H2,1H3
InChIKeyRXKSNPUAAUPGOZ-UHFFFAOYSA-N
MW344.52 g/mol
LogP6.13
Rot. Bonds9

About 5-fluoro-1-octyl-3-(piperidin-1-ylmethyl)indole

5-fluoro-1-octyl-3-(piperidin-1-ylmethyl)indole (PubChem CID 50916158) has the molecular formula C22H33FN2 and a molecular weight of 344.52 g/mol. Its IUPAC name is 5-fluoro-1-octyl-3-(piperidin-1-ylmethyl)indole.

Molecular Properties

Compound Name5-fluoro-1-octyl-3-(piperidin-1-ylmethyl)indole
PubChem CID50916158
Molecular FormulaC22H33FN2
Molecular Weight344.52 g/mol
Exact Mass344.26
IUPAC Name5-fluoro-1-octyl-3-(piperidin-1-ylmethyl)indole
SMILESCCCCCCCCn1cc(CN2CCCCC2)c2cc(F)ccc21
InChIInChI=1S/C22H33FN2/c1-2-3-4-5-6-10-15-25-18-19(17-24-13-8-7-9-14-24)21-16-20(23)11-12-22(21)25/h11-12,16,18H,2-10,13-15,17H2,1H3
InChIKeyRXKSNPUAAUPGOZ-UHFFFAOYSA-N
XLogP6.13
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.52
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-fluoro-1-octyl-3-(piperidin-1-ylmethyl)indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-octyl-3-(piperidin-1-ylmethyl)indole?
The IUPAC name of 5-fluoro-1-octyl-3-(piperidin-1-ylmethyl)indole (CID 50916158) is 5-fluoro-1-octyl-3-(piperidin-1-ylmethyl)indole.
What is the SMILES notation for 5-fluoro-1-octyl-3-(piperidin-1-ylmethyl)indole?
The canonical SMILES for 5-fluoro-1-octyl-3-(piperidin-1-ylmethyl)indole is CCCCCCCCn1cc(CN2CCCCC2)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-octyl-3-(piperidin-1-ylmethyl)indole?
The InChIKey is RXKSNPUAAUPGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN2/c1-2-3-4-5-6-10-15-25-18-19(17-24-13-8-7-9-14-24)21-16-20(23)11-12-22(21)25/h11-12,16,18H,2-10,13-15,17H2,1H3.
What are the key properties of 5-fluoro-1-octyl-3-(piperidin-1-ylmethyl)indole?
5-fluoro-1-octyl-3-(piperidin-1-ylmethyl)indole has a molecular weight of 344.52 g/mol, XLogP of 6.13, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-octyl-3-(piperidin-1-ylmethyl)indole is sourced from PubChem (CID 50916158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).