5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydro-1H-inden-1-ol

C20H24FN3O — CID 164620912

IUPAC5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccc(F)cc2CC1CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H24FN3O/c21-17-4-5-18-16(14-17)13-15(20(18)25)6-8-23-9-11-24(12-10-23)19-3-1-2-7-22-19/h1-5,7,14-15,20,25H,6,8-13H2
InChIKeyRUOVJGSFCGUFDC-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.64
Rot. Bonds4

About 5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydro-1H-inden-1-ol

5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 164620912) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydro-1H-inden-1-ol
PubChem CID164620912
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccc(F)cc2CC1CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H24FN3O/c21-17-4-5-18-16(14-17)13-15(20(18)25)6-8-23-9-11-24(12-10-23)19-3-1-2-7-22-19/h1-5,7,14-15,20,25H,6,8-13H2
InChIKeyRUOVJGSFCGUFDC-UHFFFAOYSA-N
XLogP2.64
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydro-1H-inden-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

Related Compounds

Azaperol
CID 3080589
(S)-1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazin-1-yl)-butan-1-ol
CID 44350942
1-Phenyl-3-(4-(pyridin-2-yl)piperazin-1-yl)propan-1-ol
CID 10827876
(R)-1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazin-1-yl)-butan-1-ol
CID 44350991
1-Phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
CID 2809777
1-{5-[2-Fluoro-5-(Hydroxymethyl)phenyl]pyridin-2-Yl}piperidine-4-Carboxylic Acid
CID 119025595
1-(4-Fluorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
CID 2810103
1,2-Diphenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 12505324
2-[4-[2-(3-Fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 53513851
2-[4-(2-Hydroxy-2-phenylethyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 56811258
2-[4-[2-(4-Fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 56811490
2-[4-[2-(2,4-Difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 56815170

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydro-1H-inden-1-ol (CID 164620912) is 5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydro-1H-inden-1-ol is OC1c2ccc(F)cc2CC1CCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is RUOVJGSFCGUFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c21-17-4-5-18-16(14-17)13-15(20(18)25)6-8-23-9-11-24(12-10-23)19-3-1-2-7-22-19/h1-5,7,14-15,20,25H,6,8-13H2.
What are the key properties of 5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydro-1H-inden-1-ol?
5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 341.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 164620912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).