1-methanimidoyl-4-piperidin-4-ylpyridin-2-imine

C11H16N4 — CID 143982772

IUPAC1-methanimidoyl-4-piperidin-4-ylpyridin-2-imine
SMILES[H]/N=C/n1ccc(C2CCNCC2)c/c1=N\[H]
InChIInChI=1S/C11H16N4/c12-8-15-6-3-10(7-11(15)13)9-1-4-14-5-2-9/h3,6-9,12-14H,1-2,4-5H2/b12-8+,13-11+
InChIKeyHORWFVLATBDITH-UHSWXSRBSA-N
MW204.28 g/mol
LogP0.89
Rot. Bonds2

About 1-methanimidoyl-4-piperidin-4-ylpyridin-2-imine

1-methanimidoyl-4-piperidin-4-ylpyridin-2-imine (PubChem CID 143982772) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 1-methanimidoyl-4-piperidin-4-ylpyridin-2-imine.

Molecular Properties

Compound Name1-methanimidoyl-4-piperidin-4-ylpyridin-2-imine
PubChem CID143982772
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name1-methanimidoyl-4-piperidin-4-ylpyridin-2-imine
SMILES[H]/N=C/n1ccc(C2CCNCC2)c/c1=N\[H]
InChIInChI=1S/C11H16N4/c12-8-15-6-3-10(7-11(15)13)9-1-4-14-5-2-9/h3,6-9,12-14H,1-2,4-5H2/b12-8+,13-11+
InChIKeyHORWFVLATBDITH-UHSWXSRBSA-N
XLogP0.89
TPSA64.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 50.89
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-(Piperidine-4-carboximidoyl)pyridin-2-imine
CID 144278111
Ethane;1-methanimidoyl-5-piperidin-4-ylpyridin-2-imine
CID 144872610
1-Methanimidoyl-5-piperidin-4-ylpyridin-2-imine
CID 144872611

Frequently Asked Questions

What is the IUPAC name of 1-methanimidoyl-4-piperidin-4-ylpyridin-2-imine?
The IUPAC name of 1-methanimidoyl-4-piperidin-4-ylpyridin-2-imine (CID 143982772) is 1-methanimidoyl-4-piperidin-4-ylpyridin-2-imine.
What is the SMILES notation for 1-methanimidoyl-4-piperidin-4-ylpyridin-2-imine?
The canonical SMILES for 1-methanimidoyl-4-piperidin-4-ylpyridin-2-imine is [H]/N=C/n1ccc(C2CCNCC2)c/c1=N\[H].
What is the InChIKey of 1-methanimidoyl-4-piperidin-4-ylpyridin-2-imine?
The InChIKey is HORWFVLATBDITH-UHSWXSRBSA-N. The full InChI is InChI=1S/C11H16N4/c12-8-15-6-3-10(7-11(15)13)9-1-4-14-5-2-9/h3,6-9,12-14H,1-2,4-5H2/b12-8+,13-11+.
What are the key properties of 1-methanimidoyl-4-piperidin-4-ylpyridin-2-imine?
1-methanimidoyl-4-piperidin-4-ylpyridin-2-imine has a molecular weight of 204.28 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanimidoyl-4-piperidin-4-ylpyridin-2-imine is sourced from PubChem (CID 143982772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).