4-[4-(4-aminophenyl)piperazin-1-yl]phenol

C16H19N3O — CID 10221065

IUPAC4-[4-(4-aminophenyl)piperazin-1-yl]phenol
SMILESNc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C16H19N3O/c17-13-1-3-14(4-2-13)18-9-11-19(12-10-18)15-5-7-16(20)8-6-15/h1-8,20H,9-12,17H2
InChIKeyWZIJMPVPOMTRNM-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.30
Rot. Bonds2

About 4-[4-(4-aminophenyl)piperazin-1-yl]phenol

4-[4-(4-aminophenyl)piperazin-1-yl]phenol (PubChem CID 10221065) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-[4-(4-aminophenyl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(4-aminophenyl)piperazin-1-yl]phenol
PubChem CID10221065
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-[4-(4-aminophenyl)piperazin-1-yl]phenol
SMILESNc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C16H19N3O/c17-13-1-3-14(4-2-13)18-9-11-19(12-10-18)15-5-7-16(20)8-6-15/h1-8,20H,9-12,17H2
InChIKeyWZIJMPVPOMTRNM-UHFFFAOYSA-N
XLogP2.30
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-aminophenyl)piperazin-1-yl]phenol?
The IUPAC name of 4-[4-(4-aminophenyl)piperazin-1-yl]phenol (CID 10221065) is 4-[4-(4-aminophenyl)piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-(4-aminophenyl)piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-(4-aminophenyl)piperazin-1-yl]phenol is Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1.
What is the InChIKey of 4-[4-(4-aminophenyl)piperazin-1-yl]phenol?
The InChIKey is WZIJMPVPOMTRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-13-1-3-14(4-2-13)18-9-11-19(12-10-18)15-5-7-16(20)8-6-15/h1-8,20H,9-12,17H2.
What are the key properties of 4-[4-(4-aminophenyl)piperazin-1-yl]phenol?
4-[4-(4-aminophenyl)piperazin-1-yl]phenol has a molecular weight of 269.35 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-aminophenyl)piperazin-1-yl]phenol is sourced from PubChem (CID 10221065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).