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

C17H22N4O2 — CID 3766043

IUPAC1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
SMILESOC(COc1ccccc1)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H22N4O2/c22-15(14-23-16-5-2-1-3-6-16)13-20-9-11-21(12-10-20)17-18-7-4-8-19-17/h1-8,15,22H,9-14H2
InChIKeyHXNJTHLIHVKIGH-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.04
Rot. Bonds6

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

1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol (PubChem CID 3766043) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
PubChem CID3766043
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
SMILESOC(COc1ccccc1)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H22N4O2/c22-15(14-23-16-5-2-1-3-6-16)13-20-9-11-21(12-10-20)17-18-7-4-8-19-17/h1-8,15,22H,9-14H2
InChIKeyHXNJTHLIHVKIGH-UHFFFAOYSA-N
XLogP1.04
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol (CID 3766043) is 1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol is OC(COc1ccccc1)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol?
The InChIKey is HXNJTHLIHVKIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-15(14-23-16-5-2-1-3-6-16)13-20-9-11-21(12-10-20)17-18-7-4-8-19-17/h1-8,15,22H,9-14H2.
What are the key properties of 1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol?
1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol has a molecular weight of 314.39 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 3766043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).