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

C17H22N4O — CID 10709212

IUPAC1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol
SMILESOC(CCN1CCN(c2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C17H22N4O/c22-16(15-5-2-1-3-6-15)7-10-20-11-13-21(14-12-20)17-18-8-4-9-19-17/h1-6,8-9,16,22H,7,10-14H2
InChIKeyGNEPRYRWYXNGOT-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.72
Rot. Bonds5

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

1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol (PubChem CID 10709212) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol
PubChem CID10709212
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol
SMILESOC(CCN1CCN(c2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C17H22N4O/c22-16(15-5-2-1-3-6-15)7-10-20-11-13-21(14-12-20)17-18-8-4-9-19-17/h1-6,8-9,16,22H,7,10-14H2
InChIKeyGNEPRYRWYXNGOT-UHFFFAOYSA-N
XLogP1.72
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol?
The IUPAC name of 1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol (CID 10709212) is 1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol is OC(CCN1CCN(c2ncccn2)CC1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol?
The InChIKey is GNEPRYRWYXNGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c22-16(15-5-2-1-3-6-15)7-10-20-11-13-21(14-12-20)17-18-8-4-9-19-17/h1-6,8-9,16,22H,7,10-14H2.
What are the key properties of 1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol?
1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol has a molecular weight of 298.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 10709212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).