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

C15H17N3O — CID 18918318

IUPAC4-(2-pyridin-4-ylpiperazin-1-yl)phenol
SMILESOc1ccc(N2CCNCC2c2ccncc2)cc1
InChIInChI=1S/C15H17N3O/c19-14-3-1-13(2-4-14)18-10-9-17-11-15(18)12-5-7-16-8-6-12/h1-8,15,17,19H,9-11H2
InChIKeyHOOZQLXCOINNBL-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.94
Rot. Bonds2

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

4-(2-pyridin-4-ylpiperazin-1-yl)phenol (PubChem CID 18918318) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(2-pyridin-4-ylpiperazin-1-yl)phenol.

Molecular Properties

Compound Name4-(2-pyridin-4-ylpiperazin-1-yl)phenol
PubChem CID18918318
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-(2-pyridin-4-ylpiperazin-1-yl)phenol
SMILESOc1ccc(N2CCNCC2c2ccncc2)cc1
InChIInChI=1S/C15H17N3O/c19-14-3-1-13(2-4-14)18-10-9-17-11-15(18)12-5-7-16-8-6-12/h1-8,15,17,19H,9-11H2
InChIKeyHOOZQLXCOINNBL-UHFFFAOYSA-N
XLogP1.94
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-4-ylpiperazin-1-yl)phenol?
The IUPAC name of 4-(2-pyridin-4-ylpiperazin-1-yl)phenol (CID 18918318) is 4-(2-pyridin-4-ylpiperazin-1-yl)phenol.
What is the SMILES notation for 4-(2-pyridin-4-ylpiperazin-1-yl)phenol?
The canonical SMILES for 4-(2-pyridin-4-ylpiperazin-1-yl)phenol is Oc1ccc(N2CCNCC2c2ccncc2)cc1.
What is the InChIKey of 4-(2-pyridin-4-ylpiperazin-1-yl)phenol?
The InChIKey is HOOZQLXCOINNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-14-3-1-13(2-4-14)18-10-9-17-11-15(18)12-5-7-16-8-6-12/h1-8,15,17,19H,9-11H2.
What are the key properties of 4-(2-pyridin-4-ylpiperazin-1-yl)phenol?
4-(2-pyridin-4-ylpiperazin-1-yl)phenol has a molecular weight of 255.32 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-4-ylpiperazin-1-yl)phenol is sourced from PubChem (CID 18918318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).