1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol

C21H28N2O3 — CID 10570263

IUPAC1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol
SMILESCOc1ccc(C(O)CCN2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C21H28N2O3/c1-25-18-9-7-17(8-10-18)20(24)11-12-22-13-15-23(16-14-22)19-5-3-4-6-21(19)26-2/h3-10,20,24H,11-16H2,1-2H3
InChIKeyOKSIZZBSWZAKPC-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.95
Rot. Bonds7

About 1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol

1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol (PubChem CID 10570263) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol
PubChem CID10570263
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol
SMILESCOc1ccc(C(O)CCN2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C21H28N2O3/c1-25-18-9-7-17(8-10-18)20(24)11-12-22-13-15-23(16-14-22)19-5-3-4-6-21(19)26-2/h3-10,20,24H,11-16H2,1-2H3
InChIKeyOKSIZZBSWZAKPC-UHFFFAOYSA-N
XLogP2.95
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol (CID 10570263) is 1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol is COc1ccc(C(O)CCN2CCN(c3ccccc3OC)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol?
The InChIKey is OKSIZZBSWZAKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-25-18-9-7-17(8-10-18)20(24)11-12-22-13-15-23(16-14-22)19-5-3-4-6-21(19)26-2/h3-10,20,24H,11-16H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol?
1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol has a molecular weight of 356.47 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 10570263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).