N'-[(E)-2-[4-(cyanomethylidene)piperidin-1-yl]ethenyl]-N-ethylidenemethanimidamide

C12H16N4 — CID 134407873

IUPACN'-[(E)-2-[4-(cyanomethylidene)piperidin-1-yl]ethenyl]-N-ethylidenemethanimidamide
SMILESC/C=N/C=N/C=C/N1CCC(=CC#N)CC1
InChIInChI=1S/C12H16N4/c1-2-14-11-15-7-10-16-8-4-12(3-6-13)5-9-16/h2-3,7,10-11H,4-5,8-9H2,1H3/b10-7+,14-2+,15-11+
InChIKeyGYSCHSOFKSTKKB-UHWMCMQUSA-N
MW216.29 g/mol
LogP2.12
Rot. Bonds3

About N'-[(E)-2-[4-(cyanomethylidene)piperidin-1-yl]ethenyl]-N-ethylidenemethanimidamide

N'-[(E)-2-[4-(cyanomethylidene)piperidin-1-yl]ethenyl]-N-ethylidenemethanimidamide (PubChem CID 134407873) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N'-[(E)-2-[4-(cyanomethylidene)piperidin-1-yl]ethenyl]-N-ethylidenemethanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-[4-(cyanomethylidene)piperidin-1-yl]ethenyl]-N-ethylidenemethanimidamide
PubChem CID134407873
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN'-[(E)-2-[4-(cyanomethylidene)piperidin-1-yl]ethenyl]-N-ethylidenemethanimidamide
SMILESC/C=N/C=N/C=C/N1CCC(=CC#N)CC1
InChIInChI=1S/C12H16N4/c1-2-14-11-15-7-10-16-8-4-12(3-6-13)5-9-16/h2-3,7,10-11H,4-5,8-9H2,1H3/b10-7+,14-2+,15-11+
InChIKeyGYSCHSOFKSTKKB-UHWMCMQUSA-N
XLogP2.12
TPSA51.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-[4-(cyanomethylidene)piperidin-1-yl]ethenyl]-N-ethylidenemethanimidamide?
The IUPAC name of N'-[(E)-2-[4-(cyanomethylidene)piperidin-1-yl]ethenyl]-N-ethylidenemethanimidamide (CID 134407873) is N'-[(E)-2-[4-(cyanomethylidene)piperidin-1-yl]ethenyl]-N-ethylidenemethanimidamide.
What is the SMILES notation for N'-[(E)-2-[4-(cyanomethylidene)piperidin-1-yl]ethenyl]-N-ethylidenemethanimidamide?
The canonical SMILES for N'-[(E)-2-[4-(cyanomethylidene)piperidin-1-yl]ethenyl]-N-ethylidenemethanimidamide is C/C=N/C=N/C=C/N1CCC(=CC#N)CC1.
What is the InChIKey of N'-[(E)-2-[4-(cyanomethylidene)piperidin-1-yl]ethenyl]-N-ethylidenemethanimidamide?
The InChIKey is GYSCHSOFKSTKKB-UHWMCMQUSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-14-11-15-7-10-16-8-4-12(3-6-13)5-9-16/h2-3,7,10-11H,4-5,8-9H2,1H3/b10-7+,14-2+,15-11+.
What are the key properties of N'-[(E)-2-[4-(cyanomethylidene)piperidin-1-yl]ethenyl]-N-ethylidenemethanimidamide?
N'-[(E)-2-[4-(cyanomethylidene)piperidin-1-yl]ethenyl]-N-ethylidenemethanimidamide has a molecular weight of 216.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-[4-(cyanomethylidene)piperidin-1-yl]ethenyl]-N-ethylidenemethanimidamide is sourced from PubChem (CID 134407873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).