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

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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).