4-fluoro-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one

C15H19FN2O — CID 69203001

IUPAC4-fluoro-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one
SMILESCN1CCN(Cc2cc(F)c3c(c2)C(=O)CC3)CC1
InChIInChI=1S/C15H19FN2O/c1-17-4-6-18(7-5-17)10-11-8-13-12(14(16)9-11)2-3-15(13)19/h8-9H,2-7,10H2,1H3
InChIKeyHDYHAHPWGLMIHV-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.70
Rot. Bonds2

About 4-fluoro-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one

4-fluoro-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one (PubChem CID 69203001) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-fluoro-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-fluoro-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one
PubChem CID69203001
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name4-fluoro-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one
SMILESCN1CCN(Cc2cc(F)c3c(c2)C(=O)CC3)CC1
InChIInChI=1S/C15H19FN2O/c1-17-4-6-18(7-5-17)10-11-8-13-12(14(16)9-11)2-3-15(13)19/h8-9H,2-7,10H2,1H3
InChIKeyHDYHAHPWGLMIHV-UHFFFAOYSA-N
XLogP1.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-6-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one
CID 69199084
6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one
CID 69232295
(4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724574
6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one
CID 69202913
7-[(3,5-difluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136665523
6-(thiomorpholin-4-ylmethyl)-2,3-dihydroinden-1-one
CID 69203750
2-fluoro-5-[(4-methylpiperazin-1-yl)methyl]aniline
CID 84789213
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine
CID 765192
2-fluoro-4-[(4-methyl-1,4-diazepan-1-yl)methyl]aniline
CID 63188505
6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776130
3-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 112721951
1-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]-4-methylpiperazine
CID 84753167

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one?
The IUPAC name of 4-fluoro-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one (CID 69203001) is 4-fluoro-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-fluoro-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 4-fluoro-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one is CN1CCN(Cc2cc(F)c3c(c2)C(=O)CC3)CC1.
What is the InChIKey of 4-fluoro-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one?
The InChIKey is HDYHAHPWGLMIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-17-4-6-18(7-5-17)10-11-8-13-12(14(16)9-11)2-3-15(13)19/h8-9H,2-7,10H2,1H3.
What are the key properties of 4-fluoro-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one?
4-fluoro-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one has a molecular weight of 262.33 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 69203001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).