5-fluoro-6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole

C13H18FN3 — CID 96595499

IUPAC5-fluoro-6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole
SMILESCN1CCN(c2cc3c(cc2F)CCN3)CC1
InChIInChI=1S/C13H18FN3/c1-16-4-6-17(7-5-16)13-9-12-10(2-3-15-12)8-11(13)14/h8-9,15H,2-7H2,1H3
InChIKeySXYDOHSZYYKFRA-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.55
Rot. Bonds1

About 5-fluoro-6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole

5-fluoro-6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole (PubChem CID 96595499) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-fluoro-6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-fluoro-6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole
PubChem CID96595499
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name5-fluoro-6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole
SMILESCN1CCN(c2cc3c(cc2F)CCN3)CC1
InChIInChI=1S/C13H18FN3/c1-16-4-6-17(7-5-16)13-9-12-10(2-3-15-12)8-11(13)14/h8-9,15H,2-7H2,1H3
InChIKeySXYDOHSZYYKFRA-UHFFFAOYSA-N
XLogP1.55
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-6-(4-methylpiperazin-1-yl)-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

Related Compounds

6-fluoro-7-(4-methylpiperazin-1-yl)quinoxaline
CID 15312350
2,5-difluoro-4-(4-methylpiperazin-1-yl)phenol
CID 59447679
7,8-difluoro-4-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepine
CID 90983821
6-chloro-5-pyrrolidin-1-yl-2,3-dihydro-1H-indole
CID 82392082
6-fluoro-2,3-dihydro-1H-indol-5-amine
CID 82417148
1-(5-chloro-2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine
CID 166090717
2-amino-4-fluoro-5-(4-methylpiperazin-1-yl)benzoic acid
CID 59743247
4-fluoro-5-iodo-2-(4-methylpiperazin-1-yl)aniline
CID 66099454
6-fluoro-2,3-dihydro-1H-indole-5-carboxylic acid
CID 130704446
5-chloro-6-[(3S)-3,4,5-trimethylpiperazin-1-yl]-2,3-dihydro-1H-indole
CID 70121154
5-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole
CID 155294315
1-(5-bromo-2-fluoro-4-nitrophenyl)-4-methylpiperazine
CID 4166671

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-fluoro-6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole (CID 96595499) is 5-fluoro-6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-fluoro-6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-fluoro-6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole is CN1CCN(c2cc3c(cc2F)CCN3)CC1.
What is the InChIKey of 5-fluoro-6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole?
The InChIKey is SXYDOHSZYYKFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-16-4-6-17(7-5-16)13-9-12-10(2-3-15-12)8-11(13)14/h8-9,15H,2-7H2,1H3.
What are the key properties of 5-fluoro-6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole?
5-fluoro-6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole has a molecular weight of 235.31 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 96595499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).