4-(piperidin-1-yliminomethyl)benzonitrile

C13H15N3 — CID 2391650

IUPAC4-(piperidin-1-yliminomethyl)benzonitrile
SMILESN#Cc1ccc(C=NN2CCCCC2)cc1
InChIInChI=1S/C13H15N3/c14-10-12-4-6-13(7-5-12)11-15-16-8-2-1-3-9-16/h4-7,11H,1-3,8-9H2
InChIKeyXRMUFENFBAAKSV-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.38
Rot. Bonds2

About 4-(piperidin-1-yliminomethyl)benzonitrile

4-(piperidin-1-yliminomethyl)benzonitrile (PubChem CID 2391650) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(piperidin-1-yliminomethyl)benzonitrile.

Molecular Properties

Compound Name4-(piperidin-1-yliminomethyl)benzonitrile
PubChem CID2391650
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name4-(piperidin-1-yliminomethyl)benzonitrile
SMILESN#Cc1ccc(C=NN2CCCCC2)cc1
InChIInChI=1S/C13H15N3/c14-10-12-4-6-13(7-5-12)11-15-16-8-2-1-3-9-16/h4-7,11H,1-3,8-9H2
InChIKeyXRMUFENFBAAKSV-UHFFFAOYSA-N
XLogP2.38
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-methylpiperazin-1-yl)iminomethyl]benzonitrile
CID 2343693
1-(4-nitrophenyl)-N-pyrrolidin-1-ylmethanimine
CID 71401110
4-[(Z)-[(1R,2R,6R,7R,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]iminomethyl]benzonitrile
CID 100802689
4-[[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]iminomethyl]benzonitrile
CID 124763473
sodium 4-[(Z)-oxidoiminomethyl]benzonitrile
CID 101116891
4-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)iminomethyl]benzonitrile
CID 3900025
4-(ethyliminomethyl)benzonitrile
CID 12927009
4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
4-[(E)-3-pyrrolidin-1-yl-3-selanylideneprop-1-enyl]benzonitrile
CID 11833091
4-[(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]benzonitrile
CID 2455890
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzonitrile
CID 5196485

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-yliminomethyl)benzonitrile?
The IUPAC name of 4-(piperidin-1-yliminomethyl)benzonitrile (CID 2391650) is 4-(piperidin-1-yliminomethyl)benzonitrile.
What is the SMILES notation for 4-(piperidin-1-yliminomethyl)benzonitrile?
The canonical SMILES for 4-(piperidin-1-yliminomethyl)benzonitrile is N#Cc1ccc(C=NN2CCCCC2)cc1.
What is the InChIKey of 4-(piperidin-1-yliminomethyl)benzonitrile?
The InChIKey is XRMUFENFBAAKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-10-12-4-6-13(7-5-12)11-15-16-8-2-1-3-9-16/h4-7,11H,1-3,8-9H2.
What are the key properties of 4-(piperidin-1-yliminomethyl)benzonitrile?
4-(piperidin-1-yliminomethyl)benzonitrile has a molecular weight of 213.28 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-yliminomethyl)benzonitrile is sourced from PubChem (CID 2391650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).