2-(4-pyrimidin-2-ylpiperazin-1-yl)phenol

C14H16N4O — CID 2099210

IUPAC2-(4-pyrimidin-2-ylpiperazin-1-yl)phenol
SMILESOc1ccccc1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H16N4O/c19-13-5-2-1-4-12(13)17-8-10-18(11-9-17)14-15-6-3-7-16-14/h1-7,19H,8-11H2
InChIKeyZZFWEWHVVVNHPF-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.51
Rot. Bonds2

About 2-(4-pyrimidin-2-ylpiperazin-1-yl)phenol

2-(4-pyrimidin-2-ylpiperazin-1-yl)phenol (PubChem CID 2099210) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpiperazin-1-yl)phenol.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpiperazin-1-yl)phenol
PubChem CID2099210
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-(4-pyrimidin-2-ylpiperazin-1-yl)phenol
SMILESOc1ccccc1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H16N4O/c19-13-5-2-1-4-12(13)17-8-10-18(11-9-17)14-15-6-3-7-16-14/h1-7,19H,8-11H2
InChIKeyZZFWEWHVVVNHPF-UHFFFAOYSA-N
XLogP1.51
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)phenol?
The IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)phenol (CID 2099210) is 2-(4-pyrimidin-2-ylpiperazin-1-yl)phenol.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpiperazin-1-yl)phenol?
The canonical SMILES for 2-(4-pyrimidin-2-ylpiperazin-1-yl)phenol is Oc1ccccc1N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(4-pyrimidin-2-ylpiperazin-1-yl)phenol?
The InChIKey is ZZFWEWHVVVNHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-13-5-2-1-4-12(13)17-8-10-18(11-9-17)14-15-6-3-7-16-14/h1-7,19H,8-11H2.
What are the key properties of 2-(4-pyrimidin-2-ylpiperazin-1-yl)phenol?
2-(4-pyrimidin-2-ylpiperazin-1-yl)phenol has a molecular weight of 256.31 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-ylpiperazin-1-yl)phenol is sourced from PubChem (CID 2099210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).