6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol

C15H21FN2O — CID 23284398

IUPAC6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol
SMILESCN1CCN(CC2Cc3ccc(F)cc3C2O)CC1
InChIInChI=1S/C15H21FN2O/c1-17-4-6-18(7-5-17)10-12-8-11-2-3-13(16)9-14(11)15(12)19/h2-3,9,12,15,19H,4-8,10H2,1H3
InChIKeyDJLXRVXUSUNDJW-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.28
Rot. Bonds2

About 6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol

6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 23284398) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol
PubChem CID23284398
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol
SMILESCN1CCN(CC2Cc3ccc(F)cc3C2O)CC1
InChIInChI=1S/C15H21FN2O/c1-17-4-6-18(7-5-17)10-12-8-11-2-3-13(16)9-14(11)15(12)19/h2-3,9,12,15,19H,4-8,10H2,1H3
InChIKeyDJLXRVXUSUNDJW-UHFFFAOYSA-N
XLogP1.28
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol with MolForge

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Related Compounds

2-(1-Methylpiperidin-4-yl)-2,3-dihydro-1H-inden-1-ol
CID 210015
1-Indanol, 3-(1-methyl-4-piperidyl)-1-phenyl-
CID 210019
11-Methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulen-10-ol
CID 40133
(2S,3S,10S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-trien-3-ol
CID 40143
1-Piperidinepropanol, alpha-(p-fluorophenyl)-beta-methyl-, hydrochloride
CID 214248
2-(4-Ethylpiperazin-1-yl)-1-(4-fluorophenyl)ethanol
CID 51075547
4-Fluorophenyl 1-methylpiperidin-4-yl methanol
CID 54020792
1-[1-[Ethyl(methyl)amino]pentan-3-yl]-2,3-dihydroinden-1-ol
CID 178102766
3-(3-Fluorophenyl)-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol
CID 10149496
3-(4-Fluorophenyl)-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol
CID 10214872
1-[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroinden-1-ol
CID 10268792
6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11565356

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol (CID 23284398) is 6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol is CN1CCN(CC2Cc3ccc(F)cc3C2O)CC1.
What is the InChIKey of 6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is DJLXRVXUSUNDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-17-4-6-18(7-5-17)10-12-8-11-2-3-13(16)9-14(11)15(12)19/h2-3,9,12,15,19H,4-8,10H2,1H3.
What are the key properties of 6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol?
6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 264.34 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 23284398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).