1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride

C24H33ClN2O — CID 45260941

IUPAC1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride
SMILESCl.c1ccc(N2CCN(CCCCCOc3ccc4c(c3)CCC4)CC2)cc1
InChIInChI=1S/C24H32N2O.ClH/c1-3-10-23(11-4-1)26-17-15-25(16-18-26)14-5-2-6-19-27-24-13-12-21-8-7-9-22(21)20-24;/h1,3-4,10-13,20H,2,5-9,14-19H2;1H
InChIKeyYWAQALJZUIGISS-UHFFFAOYSA-N
MW400.99 g/mol
LogP4.97
Rot. Bonds8

About 1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride

1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride (PubChem CID 45260941) has the molecular formula C24H33ClN2O and a molecular weight of 400.99 g/mol. Its IUPAC name is 1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride
PubChem CID45260941
Molecular FormulaC24H33ClN2O
Molecular Weight400.99 g/mol
Exact Mass400.23
IUPAC Name1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride
SMILESCl.c1ccc(N2CCN(CCCCCOc3ccc4c(c3)CCC4)CC2)cc1
InChIInChI=1S/C24H32N2O.ClH/c1-3-10-23(11-4-1)26-17-15-25(16-18-26)14-5-2-6-19-27-24-13-12-21-8-7-9-22(21)20-24;/h1,3-4,10-13,20H,2,5-9,14-19H2;1H
InChIKeyYWAQALJZUIGISS-UHFFFAOYSA-N
XLogP4.97
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.99
LogP ≤ 54.97
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-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 45260939
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
[4-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazin-1-yl]phenyl] acetate
CID 20532689
1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-nitrophenyl)piperazine
CID 13059006
6-[3-(4-phenylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 45264711
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
1-benzyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-2H-quinoline
CID 44589460
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
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
1-ethyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;dihydrochloride
CID 12899515

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride?
The IUPAC name of 1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride (CID 45260941) is 1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride.
What is the SMILES notation for 1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride?
The canonical SMILES for 1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride is Cl.c1ccc(N2CCN(CCCCCOc3ccc4c(c3)CCC4)CC2)cc1.
What is the InChIKey of 1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride?
The InChIKey is YWAQALJZUIGISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O.ClH/c1-3-10-23(11-4-1)26-17-15-25(16-18-26)14-5-2-6-19-27-24-13-12-21-8-7-9-22(21)20-24;/h1,3-4,10-13,20H,2,5-9,14-19H2;1H.
What are the key properties of 1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride?
1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride has a molecular weight of 400.99 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride is sourced from PubChem (CID 45260941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).