(3Z)-3-ethylidene-2-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]piperidine

C13H19N — CID 118973902

IUPAC(3Z)-3-ethylidene-2-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]piperidine
SMILESC=C(/C=C\C)N1CCC/C(=C/C)C1=C
InChIInChI=1S/C13H19N/c1-5-8-11(3)14-10-7-9-13(6-2)12(14)4/h5-6,8H,3-4,7,9-10H2,1-2H3/b8-5-,13-6-
InChIKeyAHJABYNEKNNBJG-FRSOWPQBSA-N
MW189.30 g/mol
LogP3.63
Rot. Bonds2

About (3Z)-3-ethylidene-2-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]piperidine

(3Z)-3-ethylidene-2-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]piperidine (PubChem CID 118973902) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (3Z)-3-ethylidene-2-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]piperidine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-2-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]piperidine
PubChem CID118973902
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(3Z)-3-ethylidene-2-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]piperidine
SMILESC=C(/C=C\C)N1CCC/C(=C/C)C1=C
InChIInChI=1S/C13H19N/c1-5-8-11(3)14-10-7-9-13(6-2)12(14)4/h5-6,8H,3-4,7,9-10H2,1-2H3/b8-5-,13-6-
InChIKeyAHJABYNEKNNBJG-FRSOWPQBSA-N
XLogP3.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Geranylpiperidine
CID 12760939
1-[(1E,3E)-hexa-1,3-dienyl]piperidine
CID 15665730
3-Piperidino-2-pentene
CID 5372437
1-(1-Cyclopenta-2,4-dien-1-ylidenepropyl)piperidine
CID 134982821
1-[(E)-2-ethylhex-2-enyl]-1-methylpiperidin-1-ium
CID 6152674
N,N,4-trimethylcyclohexa-1,3-dien-1-amine
CID 19835393
1-(3,7-Dimethylocta-2,6-dien-1-yl)piperidine
CID 53765235
Tetrahydro 2h quinolizin
CID 67020367
Tetrahydrobenzo[a]quinolizine
CID 129821630
1-[5-(Trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine
CID 91262904
5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine
CID 129083998
1-[(4E,6Z,8E)-9-fluoro-4-methylnona-4,6,8-trienyl]piperidine
CID 130243379

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-2-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]piperidine?
The IUPAC name of (3Z)-3-ethylidene-2-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]piperidine (CID 118973902) is (3Z)-3-ethylidene-2-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]piperidine.
What is the SMILES notation for (3Z)-3-ethylidene-2-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]piperidine?
The canonical SMILES for (3Z)-3-ethylidene-2-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]piperidine is C=C(/C=C\C)N1CCC/C(=C/C)C1=C.
What is the InChIKey of (3Z)-3-ethylidene-2-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]piperidine?
The InChIKey is AHJABYNEKNNBJG-FRSOWPQBSA-N. The full InChI is InChI=1S/C13H19N/c1-5-8-11(3)14-10-7-9-13(6-2)12(14)4/h5-6,8H,3-4,7,9-10H2,1-2H3/b8-5-,13-6-.
What are the key properties of (3Z)-3-ethylidene-2-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]piperidine?
(3Z)-3-ethylidene-2-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]piperidine has a molecular weight of 189.30 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-2-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]piperidine is sourced from PubChem (CID 118973902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).