1-(3-imidazol-1-yl-2-phenylpropyl)-4-(2-methoxyphenyl)piperazine

C23H28N4O — CID 15016119

IUPAC1-(3-imidazol-1-yl-2-phenylpropyl)-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CC(Cn2ccnc2)c2ccccc2)CC1
InChIInChI=1S/C23H28N4O/c1-28-23-10-6-5-9-22(23)27-15-13-25(14-16-27)17-21(18-26-12-11-24-19-26)20-7-3-2-4-8-20/h2-12,19,21H,13-18H2,1H3
InChIKeyODHPZXFHNNPEEK-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.50
Rot. Bonds7

About 1-(3-imidazol-1-yl-2-phenylpropyl)-4-(2-methoxyphenyl)piperazine

1-(3-imidazol-1-yl-2-phenylpropyl)-4-(2-methoxyphenyl)piperazine (PubChem CID 15016119) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-(3-imidazol-1-yl-2-phenylpropyl)-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(3-imidazol-1-yl-2-phenylpropyl)-4-(2-methoxyphenyl)piperazine
PubChem CID15016119
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name1-(3-imidazol-1-yl-2-phenylpropyl)-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CC(Cn2ccnc2)c2ccccc2)CC1
InChIInChI=1S/C23H28N4O/c1-28-23-10-6-5-9-22(23)27-15-13-25(14-16-27)17-21(18-26-12-11-24-19-26)20-7-3-2-4-8-20/h2-12,19,21H,13-18H2,1H3
InChIKeyODHPZXFHNNPEEK-UHFFFAOYSA-N
XLogP3.50
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-yl-2-phenylpropyl)-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-(3-imidazol-1-yl-2-phenylpropyl)-4-(2-methoxyphenyl)piperazine (CID 15016119) is 1-(3-imidazol-1-yl-2-phenylpropyl)-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(3-imidazol-1-yl-2-phenylpropyl)-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-(3-imidazol-1-yl-2-phenylpropyl)-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CC(Cn2ccnc2)c2ccccc2)CC1.
What is the InChIKey of 1-(3-imidazol-1-yl-2-phenylpropyl)-4-(2-methoxyphenyl)piperazine?
The InChIKey is ODHPZXFHNNPEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-28-23-10-6-5-9-22(23)27-15-13-25(14-16-27)17-21(18-26-12-11-24-19-26)20-7-3-2-4-8-20/h2-12,19,21H,13-18H2,1H3.
What are the key properties of 1-(3-imidazol-1-yl-2-phenylpropyl)-4-(2-methoxyphenyl)piperazine?
1-(3-imidazol-1-yl-2-phenylpropyl)-4-(2-methoxyphenyl)piperazine has a molecular weight of 376.50 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-yl-2-phenylpropyl)-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 15016119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).