ethane;1-methanimidoyl-5-piperidin-4-ylpyridin-2-imine

C13H22N4 — CID 144872610

IUPACethane;1-methanimidoyl-5-piperidin-4-ylpyridin-2-imine
SMILESCC.[H]/N=C/n1cc(C2CCNCC2)cc/c1=N\[H]
InChIInChI=1S/C11H16N4.C2H6/c12-8-15-7-10(1-2-11(15)13)9-3-5-14-6-4-9;1-2/h1-2,7-9,12-14H,3-6H2;1-2H3/b12-8+,13-11+;
InChIKeyWHBYJPIFZFIMQD-LRYSJMCUSA-N
MW234.35 g/mol
LogP1.92
Rot. Bonds2

About ethane;1-methanimidoyl-5-piperidin-4-ylpyridin-2-imine

ethane;1-methanimidoyl-5-piperidin-4-ylpyridin-2-imine (PubChem CID 144872610) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is ethane;1-methanimidoyl-5-piperidin-4-ylpyridin-2-imine.

Molecular Properties

Compound Nameethane;1-methanimidoyl-5-piperidin-4-ylpyridin-2-imine
PubChem CID144872610
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Nameethane;1-methanimidoyl-5-piperidin-4-ylpyridin-2-imine
SMILESCC.[H]/N=C/n1cc(C2CCNCC2)cc/c1=N\[H]
InChIInChI=1S/C11H16N4.C2H6/c12-8-15-7-10(1-2-11(15)13)9-3-5-14-6-4-9;1-2/h1-2,7-9,12-14H,3-6H2;1-2H3/b12-8+,13-11+;
InChIKeyWHBYJPIFZFIMQD-LRYSJMCUSA-N
XLogP1.92
TPSA64.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine
CID 123256021
1-But-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine
CID 123286517
1-But-1-en-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-imine
CID 123811988
1-Methanimidoyl-4-piperidin-4-ylpyridin-2-imine
CID 143982772
1-(Piperidine-4-carboximidoyl)pyridin-2-imine
CID 144278111
1-Methanimidoyl-5-piperidin-4-ylpyridin-2-imine
CID 144872611

Frequently Asked Questions

What is the IUPAC name of ethane;1-methanimidoyl-5-piperidin-4-ylpyridin-2-imine?
The IUPAC name of ethane;1-methanimidoyl-5-piperidin-4-ylpyridin-2-imine (CID 144872610) is ethane;1-methanimidoyl-5-piperidin-4-ylpyridin-2-imine.
What is the SMILES notation for ethane;1-methanimidoyl-5-piperidin-4-ylpyridin-2-imine?
The canonical SMILES for ethane;1-methanimidoyl-5-piperidin-4-ylpyridin-2-imine is CC.[H]/N=C/n1cc(C2CCNCC2)cc/c1=N\[H].
What is the InChIKey of ethane;1-methanimidoyl-5-piperidin-4-ylpyridin-2-imine?
The InChIKey is WHBYJPIFZFIMQD-LRYSJMCUSA-N. The full InChI is InChI=1S/C11H16N4.C2H6/c12-8-15-7-10(1-2-11(15)13)9-3-5-14-6-4-9;1-2/h1-2,7-9,12-14H,3-6H2;1-2H3/b12-8+,13-11+;.
What are the key properties of ethane;1-methanimidoyl-5-piperidin-4-ylpyridin-2-imine?
ethane;1-methanimidoyl-5-piperidin-4-ylpyridin-2-imine has a molecular weight of 234.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methanimidoyl-5-piperidin-4-ylpyridin-2-imine is sourced from PubChem (CID 144872610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).