4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol

C15H18N4O — CID 764635

IUPAC4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
SMILESOc1ccc(CN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C15H18N4O/c20-14-4-2-13(3-5-14)12-18-8-10-19(11-9-18)15-16-6-1-7-17-15/h1-7,20H,8-12H2
InChIKeyZHYXOCHZQKQEKJ-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.50
Rot. Bonds3

About 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol

4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol (PubChem CID 764635) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
PubChem CID764635
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
SMILESOc1ccc(CN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C15H18N4O/c20-14-4-2-13(3-5-14)12-18-8-10-19(11-9-18)15-16-6-1-7-17-15/h1-7,20H,8-12H2
InChIKeyZHYXOCHZQKQEKJ-UHFFFAOYSA-N
XLogP1.50
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol?
The IUPAC name of 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol (CID 764635) is 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol.
What is the SMILES notation for 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol?
The canonical SMILES for 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol is Oc1ccc(CN2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol?
The InChIKey is ZHYXOCHZQKQEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-14-4-2-13(3-5-14)12-18-8-10-19(11-9-18)15-16-6-1-7-17-15/h1-7,20H,8-12H2.
What are the key properties of 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol?
4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol has a molecular weight of 270.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol is sourced from PubChem (CID 764635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).