1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine;hydron;dichloride

C22H29Cl2FN2O — CID 50987103

IUPAC1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine;hydron;dichloride
SMILESFc1cc2c(cc1OCCCN1CCN(c3ccccc3)CC1)CCC2.[Cl-].[Cl-].[H+].[H+]
InChIInChI=1S/C22H27FN2O.2ClH/c23-21-16-18-6-4-7-19(18)17-22(21)26-15-5-10-24-11-13-25(14-12-24)20-8-2-1-3-9-20;;/h1-3,8-9,16-17H,4-7,10-15H2;2*1H
InChIKeyUNYPNAYZFULZAH-UHFFFAOYSA-N
MW427.39 g/mol
LogP-1.86
Rot. Bonds6

About 1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine;hydron;dichloride

1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine;hydron;dichloride (PubChem CID 50987103) has the molecular formula C22H29Cl2FN2O and a molecular weight of 427.39 g/mol. Its IUPAC name is 1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine;hydron;dichloride.

Molecular Properties

Compound Name1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine;hydron;dichloride
PubChem CID50987103
Molecular FormulaC22H29Cl2FN2O
Molecular Weight427.39 g/mol
Exact Mass426.16
IUPAC Name1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine;hydron;dichloride
SMILESFc1cc2c(cc1OCCCN1CCN(c3ccccc3)CC1)CCC2.[Cl-].[Cl-].[H+].[H+]
InChIInChI=1S/C22H27FN2O.2ClH/c23-21-16-18-6-4-7-19(18)17-22(21)26-15-5-10-24-11-13-25(14-12-24)20-8-2-1-3-9-20;;/h1-3,8-9,16-17H,4-7,10-15H2;2*1H
InChIKeyUNYPNAYZFULZAH-UHFFFAOYSA-N
XLogP-1.86
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 5-1.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine
CID 3060439
6-[3-(4-phenylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 45264711
1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride
CID 45260941
6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 45260924
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazine
CID 13038826
1-benzyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-2H-quinoline
CID 44589460
1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-methoxyphenyl)piperazine;hydrochloride
CID 45260980
6-chloro-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899492
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
1-(3-chlorophenyl)-4-[4-(2,3-dihydro-1H-inden-4-yloxy)butyl]piperazine
CID 20532665
4-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
CID 132601710

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine;hydron;dichloride?
The IUPAC name of 1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine;hydron;dichloride (CID 50987103) is 1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine;hydron;dichloride.
What is the SMILES notation for 1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine;hydron;dichloride?
The canonical SMILES for 1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine;hydron;dichloride is Fc1cc2c(cc1OCCCN1CCN(c3ccccc3)CC1)CCC2.[Cl-].[Cl-].[H+].[H+].
What is the InChIKey of 1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine;hydron;dichloride?
The InChIKey is UNYPNAYZFULZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O.2ClH/c23-21-16-18-6-4-7-19(18)17-22(21)26-15-5-10-24-11-13-25(14-12-24)20-8-2-1-3-9-20;;/h1-3,8-9,16-17H,4-7,10-15H2;2*1H.
What are the key properties of 1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine;hydron;dichloride?
1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine;hydron;dichloride has a molecular weight of 427.39 g/mol, XLogP of -1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine;hydron;dichloride is sourced from PubChem (CID 50987103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).