1-(4-methoxyphenoxy)-3-[4-(3-pyridin-4-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol

C24H28N4O3 — CID 71062022

IUPAC1-(4-methoxyphenoxy)-3-[4-(3-pyridin-4-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol
SMILESCOc1ccc(OCC(O)CN2CCN(c3ncccc3-c3ccncc3)CC2)cc1
InChIInChI=1S/C24H28N4O3/c1-30-21-4-6-22(7-5-21)31-18-20(29)17-27-13-15-28(16-14-27)24-23(3-2-10-26-24)19-8-11-25-12-9-19/h2-12,20,29H,13-18H2,1H3
InChIKeyGRJCHYIIAJUSEP-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.71
Rot. Bonds8

About 1-(4-methoxyphenoxy)-3-[4-(3-pyridin-4-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol

1-(4-methoxyphenoxy)-3-[4-(3-pyridin-4-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol (PubChem CID 71062022) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-(4-methoxyphenoxy)-3-[4-(3-pyridin-4-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyphenoxy)-3-[4-(3-pyridin-4-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol
PubChem CID71062022
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name1-(4-methoxyphenoxy)-3-[4-(3-pyridin-4-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol
SMILESCOc1ccc(OCC(O)CN2CCN(c3ncccc3-c3ccncc3)CC2)cc1
InChIInChI=1S/C24H28N4O3/c1-30-21-4-6-22(7-5-21)31-18-20(29)17-27-13-15-28(16-14-27)24-23(3-2-10-26-24)19-8-11-25-12-9-19/h2-12,20,29H,13-18H2,1H3
InChIKeyGRJCHYIIAJUSEP-UHFFFAOYSA-N
XLogP2.71
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenoxy)-3-[4-(3-pyridin-4-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(4-methoxyphenoxy)-3-[4-(3-pyridin-4-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol (CID 71062022) is 1-(4-methoxyphenoxy)-3-[4-(3-pyridin-4-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-methoxyphenoxy)-3-[4-(3-pyridin-4-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-methoxyphenoxy)-3-[4-(3-pyridin-4-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol is COc1ccc(OCC(O)CN2CCN(c3ncccc3-c3ccncc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenoxy)-3-[4-(3-pyridin-4-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol?
The InChIKey is GRJCHYIIAJUSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-30-21-4-6-22(7-5-21)31-18-20(29)17-27-13-15-28(16-14-27)24-23(3-2-10-26-24)19-8-11-25-12-9-19/h2-12,20,29H,13-18H2,1H3.
What are the key properties of 1-(4-methoxyphenoxy)-3-[4-(3-pyridin-4-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol?
1-(4-methoxyphenoxy)-3-[4-(3-pyridin-4-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol has a molecular weight of 420.51 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenoxy)-3-[4-(3-pyridin-4-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 71062022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).