1-(4-propylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride

C21H30ClN3O2 — CID 24761821

IUPAC1-(4-propylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride
SMILESCCCc1ccc(OCC(O)CN2CCN(c3ccccn3)CC2)cc1.Cl
InChIInChI=1S/C21H29N3O2.ClH/c1-2-5-18-7-9-20(10-8-18)26-17-19(25)16-23-12-14-24(15-13-23)21-6-3-4-11-22-21;/h3-4,6-11,19,25H,2,5,12-17H2,1H3;1H
InChIKeyYNIQRFDKPHZPPT-UHFFFAOYSA-N
MW391.94 g/mol
LogP3.02
Rot. Bonds8

About 1-(4-propylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride

1-(4-propylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride (PubChem CID 24761821) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is 1-(4-propylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-propylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride
PubChem CID24761821
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC Name1-(4-propylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride
SMILESCCCc1ccc(OCC(O)CN2CCN(c3ccccn3)CC2)cc1.Cl
InChIInChI=1S/C21H29N3O2.ClH/c1-2-5-18-7-9-20(10-8-18)26-17-19(25)16-23-12-14-24(15-13-23)21-6-3-4-11-22-21;/h3-4,6-11,19,25H,2,5,12-17H2,1H3;1H
InChIKeyYNIQRFDKPHZPPT-UHFFFAOYSA-N
XLogP3.02
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(4-propylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride (CID 24761821) is 1-(4-propylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-propylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-propylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride is CCCc1ccc(OCC(O)CN2CCN(c3ccccn3)CC2)cc1.Cl.
What is the InChIKey of 1-(4-propylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride?
The InChIKey is YNIQRFDKPHZPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2.ClH/c1-2-5-18-7-9-20(10-8-18)26-17-19(25)16-23-12-14-24(15-13-23)21-6-3-4-11-22-21;/h3-4,6-11,19,25H,2,5,12-17H2,1H3;1H.
What are the key properties of 1-(4-propylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride?
1-(4-propylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride has a molecular weight of 391.94 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 24761821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).