1-ethenyl-3-methylidene-2-piperidin-4-ylguanidine

C9H16N4 — CID 143219764

IUPAC1-ethenyl-3-methylidene-2-piperidin-4-ylguanidine
SMILESC=CN/C(N=C)=N/C1CCNCC1
InChIInChI=1S/C9H16N4/c1-3-12-9(10-2)13-8-4-6-11-7-5-8/h3,8,11H,1-2,4-7H2,(H,12,13)
InChIKeyJVTLUVPUMWFXLA-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.53
Rot. Bonds2

About 1-ethenyl-3-methylidene-2-piperidin-4-ylguanidine

1-ethenyl-3-methylidene-2-piperidin-4-ylguanidine (PubChem CID 143219764) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-ethenyl-3-methylidene-2-piperidin-4-ylguanidine.

Molecular Properties

Compound Name1-ethenyl-3-methylidene-2-piperidin-4-ylguanidine
PubChem CID143219764
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-ethenyl-3-methylidene-2-piperidin-4-ylguanidine
SMILESC=CN/C(N=C)=N/C1CCNCC1
InChIInChI=1S/C9H16N4/c1-3-12-9(10-2)13-8-4-6-11-7-5-8/h3,8,11H,1-2,4-7H2,(H,12,13)
InChIKeyJVTLUVPUMWFXLA-UHFFFAOYSA-N
XLogP0.53
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N'-piperidin-4-yl-N-[(E)-prop-1-enyl]methanimidamide
CID 118489951
N-methyl-N-piperidin-4-yl-N'-[(E)-prop-1-enyl]methanimidamide
CID 118489955
N'-ethenyl-4-(methylamino)-N-methylidenepiperidine-1-carboximidamide
CID 144519605
N-methylidene-N'-[1-(piperidin-3-ylamino)ethenyl]methanimidamide
CID 153403595

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-methylidene-2-piperidin-4-ylguanidine?
The IUPAC name of 1-ethenyl-3-methylidene-2-piperidin-4-ylguanidine (CID 143219764) is 1-ethenyl-3-methylidene-2-piperidin-4-ylguanidine.
What is the SMILES notation for 1-ethenyl-3-methylidene-2-piperidin-4-ylguanidine?
The canonical SMILES for 1-ethenyl-3-methylidene-2-piperidin-4-ylguanidine is C=CN/C(N=C)=N/C1CCNCC1.
What is the InChIKey of 1-ethenyl-3-methylidene-2-piperidin-4-ylguanidine?
The InChIKey is JVTLUVPUMWFXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-12-9(10-2)13-8-4-6-11-7-5-8/h3,8,11H,1-2,4-7H2,(H,12,13).
What are the key properties of 1-ethenyl-3-methylidene-2-piperidin-4-ylguanidine?
1-ethenyl-3-methylidene-2-piperidin-4-ylguanidine has a molecular weight of 180.25 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-methylidene-2-piperidin-4-ylguanidine is sourced from PubChem (CID 143219764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).