1-(4-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

C19H25N3O3 — CID 2882674

IUPAC1-(4-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
SMILESCOc1ccc(OCC(O)CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H25N3O3/c1-24-17-5-7-18(8-6-17)25-15-16(23)14-21-10-12-22(13-11-21)19-4-2-3-9-20-19/h2-9,16,23H,10-15H2,1H3
InChIKeyQUPXTYXNFHYPIA-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.65
Rot. Bonds7

About 1-(4-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

1-(4-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol (PubChem CID 2882674) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(4-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
PubChem CID2882674
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-(4-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
SMILESCOc1ccc(OCC(O)CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H25N3O3/c1-24-17-5-7-18(8-6-17)25-15-16(23)14-21-10-12-22(13-11-21)19-4-2-3-9-20-19/h2-9,16,23H,10-15H2,1H3
InChIKeyQUPXTYXNFHYPIA-UHFFFAOYSA-N
XLogP1.65
TPSA58.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-(4-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol (CID 2882674) is 1-(4-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is COc1ccc(OCC(O)CN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The InChIKey is QUPXTYXNFHYPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-24-17-5-7-18(8-6-17)25-15-16(23)14-21-10-12-22(13-11-21)19-4-2-3-9-20-19/h2-9,16,23H,10-15H2,1H3.
What are the key properties of 1-(4-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
1-(4-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol has a molecular weight of 343.43 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 2882674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).