(2E)-3,6-dimethylidene-2-[(E)-2-prop-1-en-2-ylbut-2-enylidene]piperidine

C14H19N — CID 143343260

IUPAC(2E)-3,6-dimethylidene-2-[(E)-2-prop-1-en-2-ylbut-2-enylidene]piperidine
SMILESC=C1CCC(=C)/C(=C/C(=C\C)C(=C)C)N1
InChIInChI=1S/C14H19N/c1-6-13(10(2)3)9-14-11(4)7-8-12(5)15-14/h6,9,15H,2,4-5,7-8H2,1,3H3/b13-6+,14-9+
InChIKeyREIOZZYOYBPCRA-SJRHNVSNSA-N
MW201.31 g/mol
LogP3.85
Rot. Bonds2

About (2E)-3,6-dimethylidene-2-[(E)-2-prop-1-en-2-ylbut-2-enylidene]piperidine

(2E)-3,6-dimethylidene-2-[(E)-2-prop-1-en-2-ylbut-2-enylidene]piperidine (PubChem CID 143343260) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (2E)-3,6-dimethylidene-2-[(E)-2-prop-1-en-2-ylbut-2-enylidene]piperidine.

Molecular Properties

Compound Name(2E)-3,6-dimethylidene-2-[(E)-2-prop-1-en-2-ylbut-2-enylidene]piperidine
PubChem CID143343260
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(2E)-3,6-dimethylidene-2-[(E)-2-prop-1-en-2-ylbut-2-enylidene]piperidine
SMILESC=C1CCC(=C)/C(=C/C(=C\C)C(=C)C)N1
InChIInChI=1S/C14H19N/c1-6-13(10(2)3)9-14-11(4)7-8-12(5)15-14/h6,9,15H,2,4-5,7-8H2,1,3H3/b13-6+,14-9+
InChIKeyREIOZZYOYBPCRA-SJRHNVSNSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-3,6-dimethylidene-2-[(E)-2-prop-1-en-2-ylbut-2-enylidene]piperidine?
The IUPAC name of (2E)-3,6-dimethylidene-2-[(E)-2-prop-1-en-2-ylbut-2-enylidene]piperidine (CID 143343260) is (2E)-3,6-dimethylidene-2-[(E)-2-prop-1-en-2-ylbut-2-enylidene]piperidine.
What is the SMILES notation for (2E)-3,6-dimethylidene-2-[(E)-2-prop-1-en-2-ylbut-2-enylidene]piperidine?
The canonical SMILES for (2E)-3,6-dimethylidene-2-[(E)-2-prop-1-en-2-ylbut-2-enylidene]piperidine is C=C1CCC(=C)/C(=C/C(=C\C)C(=C)C)N1.
What is the InChIKey of (2E)-3,6-dimethylidene-2-[(E)-2-prop-1-en-2-ylbut-2-enylidene]piperidine?
The InChIKey is REIOZZYOYBPCRA-SJRHNVSNSA-N. The full InChI is InChI=1S/C14H19N/c1-6-13(10(2)3)9-14-11(4)7-8-12(5)15-14/h6,9,15H,2,4-5,7-8H2,1,3H3/b13-6+,14-9+.
What are the key properties of (2E)-3,6-dimethylidene-2-[(E)-2-prop-1-en-2-ylbut-2-enylidene]piperidine?
(2E)-3,6-dimethylidene-2-[(E)-2-prop-1-en-2-ylbut-2-enylidene]piperidine has a molecular weight of 201.31 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,6-dimethylidene-2-[(E)-2-prop-1-en-2-ylbut-2-enylidene]piperidine is sourced from PubChem (CID 143343260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).