1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-1-ol

C24H31FN2O — CID 22038361

IUPAC1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-1-ol
SMILESCCC(O)c1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2
InChIInChI=1S/C24H31FN2O/c1-2-24(28)20-6-5-19-10-16-27(23(19)17-20)22-11-14-26(15-12-22)13-9-18-3-7-21(25)8-4-18/h3-8,17,22,24,28H,2,9-16H2,1H3
InChIKeyYMHDDFPXFDZRJT-UHFFFAOYSA-N
MW382.52 g/mol
LogP4.34
Rot. Bonds6

About 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-1-ol

1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-1-ol (PubChem CID 22038361) has the molecular formula C24H31FN2O and a molecular weight of 382.52 g/mol. Its IUPAC name is 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-1-ol
PubChem CID22038361
Molecular FormulaC24H31FN2O
Molecular Weight382.52 g/mol
Exact Mass382.24
IUPAC Name1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-1-ol
SMILESCCC(O)c1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2
InChIInChI=1S/C24H31FN2O/c1-2-24(28)20-6-5-19-10-16-27(23(19)17-20)22-11-14-26(15-12-22)13-9-18-3-7-21(25)8-4-18/h3-8,17,22,24,28H,2,9-16H2,1H3
InChIKeyYMHDDFPXFDZRJT-UHFFFAOYSA-N
XLogP4.34
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-1-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 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-1-ol?
The IUPAC name of 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-1-ol (CID 22038361) is 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-1-ol?
The canonical SMILES for 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-1-ol is CCC(O)c1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2.
What is the InChIKey of 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-1-ol?
The InChIKey is YMHDDFPXFDZRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O/c1-2-24(28)20-6-5-19-10-16-27(23(19)17-20)22-11-14-26(15-12-22)13-9-18-3-7-21(25)8-4-18/h3-8,17,22,24,28H,2,9-16H2,1H3.
What are the key properties of 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-1-ol?
1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-1-ol has a molecular weight of 382.52 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-1-ol is sourced from PubChem (CID 22038361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).