4-(4-phosphanylpiperazin-1-yl)phenol

C10H15N2OP — CID 129203911

IUPAC4-(4-phosphanylpiperazin-1-yl)phenol
SMILESOc1ccc(N2CCN(P)CC2)cc1
InChIInChI=1S/C10H15N2OP/c13-10-3-1-9(2-4-10)11-5-7-12(14)8-6-11/h1-4,13H,5-8,14H2
InChIKeyCBYQAXPUCBNYAD-UHFFFAOYSA-N
MW210.22 g/mol
LogP1.30
Rot. Bonds1

About 4-(4-phosphanylpiperazin-1-yl)phenol

4-(4-phosphanylpiperazin-1-yl)phenol (PubChem CID 129203911) has the molecular formula C10H15N2OP and a molecular weight of 210.22 g/mol. Its IUPAC name is 4-(4-phosphanylpiperazin-1-yl)phenol.

Molecular Properties

Compound Name4-(4-phosphanylpiperazin-1-yl)phenol
PubChem CID129203911
Molecular FormulaC10H15N2OP
Molecular Weight210.22 g/mol
Exact Mass210.09
IUPAC Name4-(4-phosphanylpiperazin-1-yl)phenol
SMILESOc1ccc(N2CCN(P)CC2)cc1
InChIInChI=1S/C10H15N2OP/c13-10-3-1-9(2-4-10)11-5-7-12(14)8-6-11/h1-4,13H,5-8,14H2
InChIKeyCBYQAXPUCBNYAD-UHFFFAOYSA-N
XLogP1.30
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phosphanylpiperazin-1-yl)phenol?
The IUPAC name of 4-(4-phosphanylpiperazin-1-yl)phenol (CID 129203911) is 4-(4-phosphanylpiperazin-1-yl)phenol.
What is the SMILES notation for 4-(4-phosphanylpiperazin-1-yl)phenol?
The canonical SMILES for 4-(4-phosphanylpiperazin-1-yl)phenol is Oc1ccc(N2CCN(P)CC2)cc1.
What is the InChIKey of 4-(4-phosphanylpiperazin-1-yl)phenol?
The InChIKey is CBYQAXPUCBNYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2OP/c13-10-3-1-9(2-4-10)11-5-7-12(14)8-6-11/h1-4,13H,5-8,14H2.
What are the key properties of 4-(4-phosphanylpiperazin-1-yl)phenol?
4-(4-phosphanylpiperazin-1-yl)phenol has a molecular weight of 210.22 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phosphanylpiperazin-1-yl)phenol is sourced from PubChem (CID 129203911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).