[3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanol

C15H17FN4O — CID 28945688

IUPAC[3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanol
SMILESOCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1
InChIInChI=1S/C15H17FN4O/c16-13-10-12(11-21)2-3-14(13)19-6-8-20(9-7-19)15-17-4-1-5-18-15/h1-5,10,21H,6-9,11H2
InChIKeyCQQDGQPDMFMKNQ-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.43
Rot. Bonds3

About [3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanol

[3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanol (PubChem CID 28945688) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is [3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanol
PubChem CID28945688
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name[3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanol
SMILESOCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1
InChIInChI=1S/C15H17FN4O/c16-13-10-12(11-21)2-3-14(13)19-6-8-20(9-7-19)15-17-4-1-5-18-15/h1-5,10,21H,6-9,11H2
InChIKeyCQQDGQPDMFMKNQ-UHFFFAOYSA-N
XLogP1.43
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze [3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanol 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 [3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanol?
The IUPAC name of [3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanol (CID 28945688) is [3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanol?
The canonical SMILES for [3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanol is OCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1.
What is the InChIKey of [3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanol?
The InChIKey is CQQDGQPDMFMKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c16-13-10-12(11-21)2-3-14(13)19-6-8-20(9-7-19)15-17-4-1-5-18-15/h1-5,10,21H,6-9,11H2.
What are the key properties of [3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanol?
[3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanol has a molecular weight of 288.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanol is sourced from PubChem (CID 28945688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).