6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride

C22H28Cl2N2O2 — CID 45260924

IUPAC6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride
SMILESCl.Oc1cc2c(cc1OCCCN1CCN(c3cccc(Cl)c3)CC1)CCC2
InChIInChI=1S/C22H27ClN2O2.ClH/c23-19-6-2-7-20(16-19)25-11-9-24(10-12-25)8-3-13-27-22-15-18-5-1-4-17(18)14-21(22)26;/h2,6-7,14-16,26H,1,3-5,8-13H2;1H
InChIKeyDPDPHBGZWSCUCM-UHFFFAOYSA-N
MW423.38 g/mol
LogP4.55
Rot. Bonds6

About 6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride

6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride (PubChem CID 45260924) has the molecular formula C22H28Cl2N2O2 and a molecular weight of 423.38 g/mol. Its IUPAC name is 6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride.

Molecular Properties

Compound Name6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride
PubChem CID45260924
Molecular FormulaC22H28Cl2N2O2
Molecular Weight423.38 g/mol
Exact Mass422.15
IUPAC Name6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride
SMILESCl.Oc1cc2c(cc1OCCCN1CCN(c3cccc(Cl)c3)CC1)CCC2
InChIInChI=1S/C22H27ClN2O2.ClH/c23-19-6-2-7-20(16-19)25-11-9-24(10-12-25)8-3-13-27-22-15-18-5-1-4-17(18)14-21(22)26;/h2,6-7,14-16,26H,1,3-5,8-13H2;1H
InChIKeyDPDPHBGZWSCUCM-UHFFFAOYSA-N
XLogP4.55
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(4-phenylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 45264711
1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazine
CID 13038826
1-(3-chlorophenyl)-4-[4-(2,3-dihydro-1H-inden-4-yloxy)butyl]piperazine
CID 20532665
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]benzamide
CID 24773437
1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine
CID 3060439
1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine;hydron;dichloride
CID 50987103
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethoxy]benzoic acid
CID 22680945
1-(3-chlorophenyl)-4-[3-[(2,2-dimethyl-5-nitro-3H-1-benzofuran-7-yl)oxy]propyl]piperazine
CID 69191058
1-(3-chlorophenyl)-4-[2-(7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)ethyl]piperazine
CID 12686486
3-[4-(3-chlorophenyl)piperazin-1-yl]propyl adamantane-1-carboxylate
CID 10621874
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
CID 111763348

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride?
The IUPAC name of 6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride (CID 45260924) is 6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride.
What is the SMILES notation for 6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride?
The canonical SMILES for 6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride is Cl.Oc1cc2c(cc1OCCCN1CCN(c3cccc(Cl)c3)CC1)CCC2.
What is the InChIKey of 6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride?
The InChIKey is DPDPHBGZWSCUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2.ClH/c23-19-6-2-7-20(16-19)25-11-9-24(10-12-25)8-3-13-27-22-15-18-5-1-4-17(18)14-21(22)26;/h2,6-7,14-16,26H,1,3-5,8-13H2;1H.
What are the key properties of 6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride?
6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride has a molecular weight of 423.38 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride is sourced from PubChem (CID 45260924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).