4-(2-fluorophenyl)-1-[[1-(3-hydroxypropyl)indol-3-yl]methyl]piperidin-4-ol

C23H27FN2O2 — CID 16677709

IUPAC4-(2-fluorophenyl)-1-[[1-(3-hydroxypropyl)indol-3-yl]methyl]piperidin-4-ol
SMILESOCCCn1cc(CN2CCC(O)(c3ccccc3F)CC2)c2ccccc21
InChIInChI=1S/C23H27FN2O2/c24-21-8-3-2-7-20(21)23(28)10-13-25(14-11-23)16-18-17-26(12-5-15-27)22-9-4-1-6-19(18)22/h1-4,6-9,17,27-28H,5,10-16H2
InChIKeyVZEOUTRPKFUOOE-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.65
Rot. Bonds6

About 4-(2-fluorophenyl)-1-[[1-(3-hydroxypropyl)indol-3-yl]methyl]piperidin-4-ol

4-(2-fluorophenyl)-1-[[1-(3-hydroxypropyl)indol-3-yl]methyl]piperidin-4-ol (PubChem CID 16677709) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1-[[1-(3-hydroxypropyl)indol-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1-[[1-(3-hydroxypropyl)indol-3-yl]methyl]piperidin-4-ol
PubChem CID16677709
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name4-(2-fluorophenyl)-1-[[1-(3-hydroxypropyl)indol-3-yl]methyl]piperidin-4-ol
SMILESOCCCn1cc(CN2CCC(O)(c3ccccc3F)CC2)c2ccccc21
InChIInChI=1S/C23H27FN2O2/c24-21-8-3-2-7-20(21)23(28)10-13-25(14-11-23)16-18-17-26(12-5-15-27)22-9-4-1-6-19(18)22/h1-4,6-9,17,27-28H,5,10-16H2
InChIKeyVZEOUTRPKFUOOE-UHFFFAOYSA-N
XLogP3.65
TPSA48.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-fluorophenyl)-1-[[1-(3-hydroxypropyl)indol-3-yl]methyl]piperidin-4-ol 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 4-(2-fluorophenyl)-1-[[1-(3-hydroxypropyl)indol-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-(2-fluorophenyl)-1-[[1-(3-hydroxypropyl)indol-3-yl]methyl]piperidin-4-ol (CID 16677709) is 4-(2-fluorophenyl)-1-[[1-(3-hydroxypropyl)indol-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-(2-fluorophenyl)-1-[[1-(3-hydroxypropyl)indol-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-(2-fluorophenyl)-1-[[1-(3-hydroxypropyl)indol-3-yl]methyl]piperidin-4-ol is OCCCn1cc(CN2CCC(O)(c3ccccc3F)CC2)c2ccccc21.
What is the InChIKey of 4-(2-fluorophenyl)-1-[[1-(3-hydroxypropyl)indol-3-yl]methyl]piperidin-4-ol?
The InChIKey is VZEOUTRPKFUOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c24-21-8-3-2-7-20(21)23(28)10-13-25(14-11-23)16-18-17-26(12-5-15-27)22-9-4-1-6-19(18)22/h1-4,6-9,17,27-28H,5,10-16H2.
What are the key properties of 4-(2-fluorophenyl)-1-[[1-(3-hydroxypropyl)indol-3-yl]methyl]piperidin-4-ol?
4-(2-fluorophenyl)-1-[[1-(3-hydroxypropyl)indol-3-yl]methyl]piperidin-4-ol has a molecular weight of 382.48 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1-[[1-(3-hydroxypropyl)indol-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 16677709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).