(3Z)-3-[(E)-7-methoxy-3-methylhept-2-enylidene]-2-methylidenepiperidine

C15H25NO — CID 176954644

IUPAC(3Z)-3-[(E)-7-methoxy-3-methylhept-2-enylidene]-2-methylidenepiperidine
SMILESC=C1NCCC/C1=C/C=C(\C)CCCCOC
InChIInChI=1S/C15H25NO/c1-13(7-4-5-12-17-3)9-10-15-8-6-11-16-14(15)2/h9-10,16H,2,4-8,11-12H2,1,3H3/b13-9+,15-10-
InChIKeyHSHKGUNKMDDFSU-IJYCUAFPSA-N
MW235.37 g/mol
LogP3.57
Rot. Bonds6

About (3Z)-3-[(E)-7-methoxy-3-methylhept-2-enylidene]-2-methylidenepiperidine

(3Z)-3-[(E)-7-methoxy-3-methylhept-2-enylidene]-2-methylidenepiperidine (PubChem CID 176954644) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (3Z)-3-[(E)-7-methoxy-3-methylhept-2-enylidene]-2-methylidenepiperidine.

Molecular Properties

Compound Name(3Z)-3-[(E)-7-methoxy-3-methylhept-2-enylidene]-2-methylidenepiperidine
PubChem CID176954644
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(3Z)-3-[(E)-7-methoxy-3-methylhept-2-enylidene]-2-methylidenepiperidine
SMILESC=C1NCCC/C1=C/C=C(\C)CCCCOC
InChIInChI=1S/C15H25NO/c1-13(7-4-5-12-17-3)9-10-15-8-6-11-16-14(15)2/h9-10,16H,2,4-8,11-12H2,1,3H3/b13-9+,15-10-
InChIKeyHSHKGUNKMDDFSU-IJYCUAFPSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-3-[(E)-7-methoxy-3-methylhept-2-enylidene]-2-methylidenepiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-7-methoxy-3-methylhept-2-enylidene]-2-methylidenepiperidine?
The IUPAC name of (3Z)-3-[(E)-7-methoxy-3-methylhept-2-enylidene]-2-methylidenepiperidine (CID 176954644) is (3Z)-3-[(E)-7-methoxy-3-methylhept-2-enylidene]-2-methylidenepiperidine.
What is the SMILES notation for (3Z)-3-[(E)-7-methoxy-3-methylhept-2-enylidene]-2-methylidenepiperidine?
The canonical SMILES for (3Z)-3-[(E)-7-methoxy-3-methylhept-2-enylidene]-2-methylidenepiperidine is C=C1NCCC/C1=C/C=C(\C)CCCCOC.
What is the InChIKey of (3Z)-3-[(E)-7-methoxy-3-methylhept-2-enylidene]-2-methylidenepiperidine?
The InChIKey is HSHKGUNKMDDFSU-IJYCUAFPSA-N. The full InChI is InChI=1S/C15H25NO/c1-13(7-4-5-12-17-3)9-10-15-8-6-11-16-14(15)2/h9-10,16H,2,4-8,11-12H2,1,3H3/b13-9+,15-10-.
What are the key properties of (3Z)-3-[(E)-7-methoxy-3-methylhept-2-enylidene]-2-methylidenepiperidine?
(3Z)-3-[(E)-7-methoxy-3-methylhept-2-enylidene]-2-methylidenepiperidine has a molecular weight of 235.37 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-7-methoxy-3-methylhept-2-enylidene]-2-methylidenepiperidine is sourced from PubChem (CID 176954644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).