azane;ethane;2-(piperazin-2-ylidenemethyl)phenol

C13H23N3O — CID 67731571

IUPACazane;ethane;2-(piperazin-2-ylidenemethyl)phenol
SMILESCC.N.Oc1ccccc1C=C1CNCCN1
InChIInChI=1S/C11H14N2O.C2H6.H3N/c14-11-4-2-1-3-9(11)7-10-8-12-5-6-13-10;1-2;/h1-4,7,12-14H,5-6,8H2;1-2H3;1H3
InChIKeyKWZDNAIKKBOGHV-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.11
Rot. Bonds1

About azane;ethane;2-(piperazin-2-ylidenemethyl)phenol

azane;ethane;2-(piperazin-2-ylidenemethyl)phenol (PubChem CID 67731571) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is azane;ethane;2-(piperazin-2-ylidenemethyl)phenol.

Molecular Properties

Compound Nameazane;ethane;2-(piperazin-2-ylidenemethyl)phenol
PubChem CID67731571
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Nameazane;ethane;2-(piperazin-2-ylidenemethyl)phenol
SMILESCC.N.Oc1ccccc1C=C1CNCCN1
InChIInChI=1S/C11H14N2O.C2H6.H3N/c14-11-4-2-1-3-9(11)7-10-8-12-5-6-13-10;1-2;/h1-4,7,12-14H,5-6,8H2;1-2H3;1H3
InChIKeyKWZDNAIKKBOGHV-UHFFFAOYSA-N
XLogP2.11
TPSA79.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;ethane;2-(piperazin-2-ylidenemethyl)phenol?
The IUPAC name of azane;ethane;2-(piperazin-2-ylidenemethyl)phenol (CID 67731571) is azane;ethane;2-(piperazin-2-ylidenemethyl)phenol.
What is the SMILES notation for azane;ethane;2-(piperazin-2-ylidenemethyl)phenol?
The canonical SMILES for azane;ethane;2-(piperazin-2-ylidenemethyl)phenol is CC.N.Oc1ccccc1C=C1CNCCN1.
What is the InChIKey of azane;ethane;2-(piperazin-2-ylidenemethyl)phenol?
The InChIKey is KWZDNAIKKBOGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.C2H6.H3N/c14-11-4-2-1-3-9(11)7-10-8-12-5-6-13-10;1-2;/h1-4,7,12-14H,5-6,8H2;1-2H3;1H3.
What are the key properties of azane;ethane;2-(piperazin-2-ylidenemethyl)phenol?
azane;ethane;2-(piperazin-2-ylidenemethyl)phenol has a molecular weight of 237.35 g/mol, XLogP of 2.11, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethane;2-(piperazin-2-ylidenemethyl)phenol is sourced from PubChem (CID 67731571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).