1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(3-methoxyphenyl)propyl]piperazine;dihydrochloride

C23H33Cl3N2O2 — CID 19102671

IUPAC1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(3-methoxyphenyl)propyl]piperazine;dihydrochloride
SMILESCOc1cccc(CCCN2CCN(CCOCc3ccc(Cl)cc3)CC2)c1.Cl.Cl
InChIInChI=1S/C23H31ClN2O2.2ClH/c1-27-23-6-2-4-20(18-23)5-3-11-25-12-14-26(15-13-25)16-17-28-19-21-7-9-22(24)10-8-21;;/h2,4,6-10,18H,3,5,11-17,19H2,1H3;2*1H
InChIKeyDJZZMZPETUXSHR-UHFFFAOYSA-N
MW475.89 g/mol
LogP4.96
Rot. Bonds10

About 1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(3-methoxyphenyl)propyl]piperazine;dihydrochloride

1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(3-methoxyphenyl)propyl]piperazine;dihydrochloride (PubChem CID 19102671) has the molecular formula C23H33Cl3N2O2 and a molecular weight of 475.89 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(3-methoxyphenyl)propyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(3-methoxyphenyl)propyl]piperazine;dihydrochloride
PubChem CID19102671
Molecular FormulaC23H33Cl3N2O2
Molecular Weight475.89 g/mol
Exact Mass474.16
IUPAC Name1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(3-methoxyphenyl)propyl]piperazine;dihydrochloride
SMILESCOc1cccc(CCCN2CCN(CCOCc3ccc(Cl)cc3)CC2)c1.Cl.Cl
InChIInChI=1S/C23H31ClN2O2.2ClH/c1-27-23-6-2-4-20(18-23)5-3-11-25-12-14-26(15-13-25)16-17-28-19-21-7-9-22(24)10-8-21;;/h2,4,6-10,18H,3,5,11-17,19H2,1H3;2*1H
InChIKeyDJZZMZPETUXSHR-UHFFFAOYSA-N
XLogP4.96
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.89
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(3-chlorophenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine
CID 10096015
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(4-methylphenyl)propyl]piperazine
CID 19102661
1-[2-[(3-phenoxyphenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 67898556
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one
CID 110358226
1-[4-(3-methoxyphenyl)butyl]piperazine
CID 94267853
N-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113107927
4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propyl]piperidine
CID 71999972
1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863506
1-[3-(2-methoxyphenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine;dihydrochloride
CID 67898890
cyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone
CID 110358229

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(3-methoxyphenyl)propyl]piperazine;dihydrochloride?
The IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(3-methoxyphenyl)propyl]piperazine;dihydrochloride (CID 19102671) is 1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(3-methoxyphenyl)propyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(3-methoxyphenyl)propyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(3-methoxyphenyl)propyl]piperazine;dihydrochloride is COc1cccc(CCCN2CCN(CCOCc3ccc(Cl)cc3)CC2)c1.Cl.Cl.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(3-methoxyphenyl)propyl]piperazine;dihydrochloride?
The InChIKey is DJZZMZPETUXSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN2O2.2ClH/c1-27-23-6-2-4-20(18-23)5-3-11-25-12-14-26(15-13-25)16-17-28-19-21-7-9-22(24)10-8-21;;/h2,4,6-10,18H,3,5,11-17,19H2,1H3;2*1H.
What are the key properties of 1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(3-methoxyphenyl)propyl]piperazine;dihydrochloride?
1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(3-methoxyphenyl)propyl]piperazine;dihydrochloride has a molecular weight of 475.89 g/mol, XLogP of 4.96, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(3-methoxyphenyl)propyl]piperazine;dihydrochloride is sourced from PubChem (CID 19102671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).