formamide;phenol;piperazine

C11H19N3O2 — CID 161038811

IUPACformamide;phenol;piperazine
SMILESC1CNCCN1.NC=O.Oc1ccccc1
InChIInChI=1S/C6H6O.C4H10N2.CH3NO/c7-6-4-2-1-3-5-6;1-2-6-4-3-5-1;2-1-3/h1-5,7H;5-6H,1-4H2;1H,(H2,2,3)
InChIKeyUAPMHUKMDBTYDE-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.33
Rot. Bonds

About formamide;phenol;piperazine

formamide;phenol;piperazine (PubChem CID 161038811) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is formamide;phenol;piperazine.

Molecular Properties

Compound Nameformamide;phenol;piperazine
PubChem CID161038811
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nameformamide;phenol;piperazine
SMILESC1CNCCN1.NC=O.Oc1ccccc1
InChIInChI=1S/C6H6O.C4H10N2.CH3NO/c7-6-4-2-1-3-5-6;1-2-6-4-3-5-1;2-1-3/h1-5,7H;5-6H,1-4H2;1H,(H2,2,3)
InChIKeyUAPMHUKMDBTYDE-UHFFFAOYSA-N
XLogP-0.33
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formamide;phenol;piperazine?
The IUPAC name of formamide;phenol;piperazine (CID 161038811) is formamide;phenol;piperazine.
What is the SMILES notation for formamide;phenol;piperazine?
The canonical SMILES for formamide;phenol;piperazine is C1CNCCN1.NC=O.Oc1ccccc1.
What is the InChIKey of formamide;phenol;piperazine?
The InChIKey is UAPMHUKMDBTYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C4H10N2.CH3NO/c7-6-4-2-1-3-5-6;1-2-6-4-3-5-1;2-1-3/h1-5,7H;5-6H,1-4H2;1H,(H2,2,3).
What are the key properties of formamide;phenol;piperazine?
formamide;phenol;piperazine has a molecular weight of 225.29 g/mol, XLogP of -0.33, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;phenol;piperazine is sourced from PubChem (CID 161038811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).