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

C18H22ClN3O2 — CID 2850208

IUPAC1-(4-chlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
SMILESOC(COc1ccc(Cl)cc1)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H22ClN3O2/c19-15-4-6-17(7-5-15)24-14-16(23)13-21-9-11-22(12-10-21)18-3-1-2-8-20-18/h1-8,16,23H,9-14H2
InChIKeyOJWQYWYYHHDMBQ-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.30
Rot. Bonds6

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

1-(4-chlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol (PubChem CID 2850208) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
PubChem CID2850208
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name1-(4-chlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
SMILESOC(COc1ccc(Cl)cc1)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H22ClN3O2/c19-15-4-6-17(7-5-15)24-14-16(23)13-21-9-11-22(12-10-21)18-3-1-2-8-20-18/h1-8,16,23H,9-14H2
InChIKeyOJWQYWYYHHDMBQ-UHFFFAOYSA-N
XLogP2.30
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol (CID 2850208) is 1-(4-chlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is OC(COc1ccc(Cl)cc1)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The InChIKey is OJWQYWYYHHDMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c19-15-4-6-17(7-5-15)24-14-16(23)13-21-9-11-22(12-10-21)18-3-1-2-8-20-18/h1-8,16,23H,9-14H2.
What are the key properties of 1-(4-chlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
1-(4-chlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol has a molecular weight of 347.85 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 2850208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).