1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-methoxyphenyl)piperazine;hydrochloride

C23H31ClN2O2 — CID 45260980

IUPAC1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-methoxyphenyl)piperazine;hydrochloride
SMILESCOc1ccc(N2CCN(CCCOc3ccc4c(c3)CCC4)CC2)cc1.Cl
InChIInChI=1S/C23H30N2O2.ClH/c1-26-22-10-7-21(8-11-22)25-15-13-24(14-16-25)12-3-17-27-23-9-6-19-4-2-5-20(19)18-23;/h6-11,18H,2-5,12-17H2,1H3;1H
InChIKeyCMFLTHXCRFRWRT-UHFFFAOYSA-N
MW402.97 g/mol
LogP4.20
Rot. Bonds7

About 1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-methoxyphenyl)piperazine;hydrochloride

1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-methoxyphenyl)piperazine;hydrochloride (PubChem CID 45260980) has the molecular formula C23H31ClN2O2 and a molecular weight of 402.97 g/mol. Its IUPAC name is 1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-methoxyphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-methoxyphenyl)piperazine;hydrochloride
PubChem CID45260980
Molecular FormulaC23H31ClN2O2
Molecular Weight402.97 g/mol
Exact Mass402.21
IUPAC Name1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-methoxyphenyl)piperazine;hydrochloride
SMILESCOc1ccc(N2CCN(CCCOc3ccc4c(c3)CCC4)CC2)cc1.Cl
InChIInChI=1S/C23H30N2O2.ClH/c1-26-22-10-7-21(8-11-22)25-15-13-24(14-16-25)12-3-17-27-23-9-6-19-4-2-5-20(19)18-23;/h6-11,18H,2-5,12-17H2,1H3;1H
InChIKeyCMFLTHXCRFRWRT-UHFFFAOYSA-N
XLogP4.20
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.97
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazin-1-yl]phenyl] acetate
CID 20532689
1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride
CID 45260941
1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-nitrophenyl)piperazine
CID 13059006
7-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-ol
CID 135339905
1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazine
CID 13038826
N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanesulfonamide
CID 3070132
1-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 45260939
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine;hydrochloride
CID 2993601
4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride
CID 68547015
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine
CID 2993602

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-methoxyphenyl)piperazine;hydrochloride?
The IUPAC name of 1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-methoxyphenyl)piperazine;hydrochloride (CID 45260980) is 1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-methoxyphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-methoxyphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-methoxyphenyl)piperazine;hydrochloride is COc1ccc(N2CCN(CCCOc3ccc4c(c3)CCC4)CC2)cc1.Cl.
What is the InChIKey of 1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-methoxyphenyl)piperazine;hydrochloride?
The InChIKey is CMFLTHXCRFRWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2.ClH/c1-26-22-10-7-21(8-11-22)25-15-13-24(14-16-25)12-3-17-27-23-9-6-19-4-2-5-20(19)18-23;/h6-11,18H,2-5,12-17H2,1H3;1H.
What are the key properties of 1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-methoxyphenyl)piperazine;hydrochloride?
1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-methoxyphenyl)piperazine;hydrochloride has a molecular weight of 402.97 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-methoxyphenyl)piperazine;hydrochloride is sourced from PubChem (CID 45260980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).