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

C22H29ClN2O2 — CID 45264711

IUPAC6-[3-(4-phenylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride
SMILESCl.Oc1cc2c(cc1OCCCN1CCN(c3ccccc3)CC1)CCC2
InChIInChI=1S/C22H28N2O2.ClH/c25-21-16-18-6-4-7-19(18)17-22(21)26-15-5-10-23-11-13-24(14-12-23)20-8-2-1-3-9-20;/h1-3,8-9,16-17,25H,4-7,10-15H2;1H
InChIKeyMQQBEIRSBBZXTK-UHFFFAOYSA-N
MW388.94 g/mol
LogP3.89
Rot. Bonds6

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

6-[3-(4-phenylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride (PubChem CID 45264711) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is 6-[3-(4-phenylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride.

Molecular Properties

Compound Name6-[3-(4-phenylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride
PubChem CID45264711
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC Name6-[3-(4-phenylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride
SMILESCl.Oc1cc2c(cc1OCCCN1CCN(c3ccccc3)CC1)CCC2
InChIInChI=1S/C22H28N2O2.ClH/c25-21-16-18-6-4-7-19(18)17-22(21)26-15-5-10-23-11-13-24(14-12-23)20-8-2-1-3-9-20;/h1-3,8-9,16-17,25H,4-7,10-15H2;1H
InChIKeyMQQBEIRSBBZXTK-UHFFFAOYSA-N
XLogP3.89
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 53.89
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-(3-chlorophenyl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 45260924
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
1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride
CID 45260941
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
6-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol
CID 2092624
1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-methoxyphenyl)piperazine;hydrochloride
CID 45260980
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
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
5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride
CID 24845907

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-phenylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride?
The IUPAC name of 6-[3-(4-phenylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride (CID 45264711) is 6-[3-(4-phenylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride.
What is the SMILES notation for 6-[3-(4-phenylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride?
The canonical SMILES for 6-[3-(4-phenylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride is Cl.Oc1cc2c(cc1OCCCN1CCN(c3ccccc3)CC1)CCC2.
What is the InChIKey of 6-[3-(4-phenylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride?
The InChIKey is MQQBEIRSBBZXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2.ClH/c25-21-16-18-6-4-7-19(18)17-22(21)26-15-5-10-23-11-13-24(14-12-23)20-8-2-1-3-9-20;/h1-3,8-9,16-17,25H,4-7,10-15H2;1H.
What are the key properties of 6-[3-(4-phenylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride?
6-[3-(4-phenylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride has a molecular weight of 388.94 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-phenylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride is sourced from PubChem (CID 45264711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).