(3Z)-3-ethylidenepiperidin-4-imine

C7H12N2 — CID 145267338

IUPAC(3Z)-3-ethylidenepiperidin-4-imine
SMILES[H]/N=C1\CCNC\C1=C\C
InChIInChI=1S/C7H12N2/c1-2-6-5-9-4-3-7(6)8/h2,8-9H,3-5H2,1H3/b6-2-,8-7+
InChIKeyCPVDNASWLLMYQW-RSACWENESA-N
MW124.19 g/mol
LogP0.95
Rot. Bonds

About (3Z)-3-ethylidenepiperidin-4-imine

(3Z)-3-ethylidenepiperidin-4-imine (PubChem CID 145267338) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (3Z)-3-ethylidenepiperidin-4-imine.

Molecular Properties

Compound Name(3Z)-3-ethylidenepiperidin-4-imine
PubChem CID145267338
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(3Z)-3-ethylidenepiperidin-4-imine
SMILES[H]/N=C1\CCNC\C1=C\C
InChIInChI=1S/C7H12N2/c1-2-6-5-9-4-3-7(6)8/h2,8-9H,3-5H2,1H3/b6-2-,8-7+
InChIKeyCPVDNASWLLMYQW-RSACWENESA-N
XLogP0.95
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidenepiperidin-4-imine?
The IUPAC name of (3Z)-3-ethylidenepiperidin-4-imine (CID 145267338) is (3Z)-3-ethylidenepiperidin-4-imine.
What is the SMILES notation for (3Z)-3-ethylidenepiperidin-4-imine?
The canonical SMILES for (3Z)-3-ethylidenepiperidin-4-imine is [H]/N=C1\CCNC\C1=C\C.
What is the InChIKey of (3Z)-3-ethylidenepiperidin-4-imine?
The InChIKey is CPVDNASWLLMYQW-RSACWENESA-N. The full InChI is InChI=1S/C7H12N2/c1-2-6-5-9-4-3-7(6)8/h2,8-9H,3-5H2,1H3/b6-2-,8-7+.
What are the key properties of (3Z)-3-ethylidenepiperidin-4-imine?
(3Z)-3-ethylidenepiperidin-4-imine has a molecular weight of 124.19 g/mol, XLogP of 0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidenepiperidin-4-imine is sourced from PubChem (CID 145267338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).