N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-1-amine

C14H20FN3 — CID 83065817

IUPACN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-1-amine
SMILESCN1CCN(NC2CCc3c(F)cccc32)CC1
InChIInChI=1S/C14H20FN3/c1-17-7-9-18(10-8-17)16-14-6-5-11-12(14)3-2-4-13(11)15/h2-4,14,16H,5-10H2,1H3
InChIKeyYWUXIBUXEGEZBL-UHFFFAOYSA-N
MW249.33 g/mol
LogP1.57
Rot. Bonds2

About N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-1-amine

N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-1-amine (PubChem CID 83065817) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-1-amine
PubChem CID83065817
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC NameN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-1-amine
SMILESCN1CCN(NC2CCc3c(F)cccc32)CC1
InChIInChI=1S/C14H20FN3/c1-17-7-9-18(10-8-17)16-14-6-5-11-12(14)3-2-4-13(11)15/h2-4,14,16H,5-10H2,1H3
InChIKeyYWUXIBUXEGEZBL-UHFFFAOYSA-N
XLogP1.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-1-amine?
The IUPAC name of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-1-amine (CID 83065817) is N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-1-amine.
What is the SMILES notation for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-1-amine?
The canonical SMILES for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-1-amine is CN1CCN(NC2CCc3c(F)cccc32)CC1.
What is the InChIKey of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-1-amine?
The InChIKey is YWUXIBUXEGEZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-17-7-9-18(10-8-17)16-14-6-5-11-12(14)3-2-4-13(11)15/h2-4,14,16H,5-10H2,1H3.
What are the key properties of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-1-amine?
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-1-amine has a molecular weight of 249.33 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-1-amine is sourced from PubChem (CID 83065817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).