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

C18H23N3O — CID 10827876

IUPAC1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
SMILESOC(CCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C18H23N3O/c22-17(16-6-2-1-3-7-16)9-11-20-12-14-21(15-13-20)18-8-4-5-10-19-18/h1-8,10,17,22H,9,11-15H2
InChIKeyQZNPFNGTMMEWLR-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.33
Rot. Bonds5

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

1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol (PubChem CID 10827876) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
PubChem CID10827876
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
SMILESOC(CCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C18H23N3O/c22-17(16-6-2-1-3-7-16)9-11-20-12-14-21(15-13-20)18-8-4-5-10-19-18/h1-8,10,17,22H,9,11-15H2
InChIKeyQZNPFNGTMMEWLR-UHFFFAOYSA-N
XLogP2.33
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol?
The IUPAC name of 1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol (CID 10827876) is 1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol is OC(CCN1CCN(c2ccccn2)CC1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol?
The InChIKey is QZNPFNGTMMEWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-17(16-6-2-1-3-7-16)9-11-20-12-14-21(15-13-20)18-8-4-5-10-19-18/h1-8,10,17,22H,9,11-15H2.
What are the key properties of 1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol?
1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol has a molecular weight of 297.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 10827876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).