2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-2,3-dihydro-1H-indole

C20H24FN3 — CID 173295575

IUPAC2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-2,3-dihydro-1H-indole
SMILESCC1c2ccccc2NC1N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN3/c1-15-18-4-2-3-5-19(18)22-20(15)24-12-10-23(11-13-24)14-16-6-8-17(21)9-7-16/h2-9,15,20,22H,10-14H2,1H3
InChIKeyKVXIOMIBPRHZIZ-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.50
Rot. Bonds3

About 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-2,3-dihydro-1H-indole

2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-2,3-dihydro-1H-indole (PubChem CID 173295575) has the molecular formula C20H24FN3 and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-2,3-dihydro-1H-indole
PubChem CID173295575
Molecular FormulaC20H24FN3
Molecular Weight325.43 g/mol
Exact Mass325.20
IUPAC Name2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-2,3-dihydro-1H-indole
SMILESCC1c2ccccc2NC1N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN3/c1-15-18-4-2-3-5-19(18)22-20(15)24-12-10-23(11-13-24)14-16-6-8-17(21)9-7-16/h2-9,15,20,22H,10-14H2,1H3
InChIKeyKVXIOMIBPRHZIZ-UHFFFAOYSA-N
XLogP3.50
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-2,3-dihydro-1H-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 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-2,3-dihydro-1H-indole (CID 173295575) is 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-2,3-dihydro-1H-indole is CC1c2ccccc2NC1N1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-2,3-dihydro-1H-indole?
The InChIKey is KVXIOMIBPRHZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3/c1-15-18-4-2-3-5-19(18)22-20(15)24-12-10-23(11-13-24)14-16-6-8-17(21)9-7-16/h2-9,15,20,22H,10-14H2,1H3.
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-2,3-dihydro-1H-indole?
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-2,3-dihydro-1H-indole has a molecular weight of 325.43 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 173295575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).