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

C29H38Cl2N2O3 — CID 67898890

IUPAC1-[3-(2-methoxyphenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine;dihydrochloride
SMILESCOc1ccccc1CCCN1CCN(CCOCc2ccc(Oc3ccccc3)cc2)CC1.Cl.Cl
InChIInChI=1S/C29H36N2O3.2ClH/c1-32-29-12-6-5-8-26(29)9-7-17-30-18-20-31(21-19-30)22-23-33-24-25-13-15-28(16-14-25)34-27-10-3-2-4-11-27;;/h2-6,8,10-16H,7,9,17-24H2,1H3;2*1H
InChIKeyFBGDLAMATLCDNW-UHFFFAOYSA-N
MW533.54 g/mol
LogP6.10
Rot. Bonds12

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

1-[3-(2-methoxyphenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine;dihydrochloride (PubChem CID 67898890) has the molecular formula C29H38Cl2N2O3 and a molecular weight of 533.54 g/mol. Its IUPAC name is 1-[3-(2-methoxyphenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[3-(2-methoxyphenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine;dihydrochloride
PubChem CID67898890
Molecular FormulaC29H38Cl2N2O3
Molecular Weight533.54 g/mol
Exact Mass532.23
IUPAC Name1-[3-(2-methoxyphenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine;dihydrochloride
SMILESCOc1ccccc1CCCN1CCN(CCOCc2ccc(Oc3ccccc3)cc2)CC1.Cl.Cl
InChIInChI=1S/C29H36N2O3.2ClH/c1-32-29-12-6-5-8-26(29)9-7-17-30-18-20-31(21-19-30)22-23-33-24-25-13-15-28(16-14-25)34-27-10-3-2-4-11-27;;/h2-6,8,10-16H,7,9,17-24H2,1H3;2*1H
InChIKeyFBGDLAMATLCDNW-UHFFFAOYSA-N
XLogP6.10
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.54
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2-[(3-phenoxyphenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 67898556
1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride
CID 155541951
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
1-[2-[(4-chlorophenyl)methoxy]ethyl]-4-[3-(3-methoxyphenyl)propyl]piperazine;dihydrochloride
CID 19102671
1-(2-methoxyethylsulfonyl)-4-[3-(2-methoxyphenyl)propyl]piperazine
CID 110356569
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
2-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]ethanol
CID 94276618
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
1-cyclopentylsulfonyl-4-[3-(2-methoxyphenyl)propyl]piperazine
CID 110356564
1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761
1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 139690645

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyphenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[3-(2-methoxyphenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine;dihydrochloride (CID 67898890) is 1-[3-(2-methoxyphenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[3-(2-methoxyphenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[3-(2-methoxyphenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine;dihydrochloride is COc1ccccc1CCCN1CCN(CCOCc2ccc(Oc3ccccc3)cc2)CC1.Cl.Cl.
What is the InChIKey of 1-[3-(2-methoxyphenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine;dihydrochloride?
The InChIKey is FBGDLAMATLCDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O3.2ClH/c1-32-29-12-6-5-8-26(29)9-7-17-30-18-20-31(21-19-30)22-23-33-24-25-13-15-28(16-14-25)34-27-10-3-2-4-11-27;;/h2-6,8,10-16H,7,9,17-24H2,1H3;2*1H.
What are the key properties of 1-[3-(2-methoxyphenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine;dihydrochloride?
1-[3-(2-methoxyphenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine;dihydrochloride has a molecular weight of 533.54 g/mol, XLogP of 6.10, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyphenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 67898890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).