1-[(Z,2Z)-2-(1-methoxyethylidene)-3-methylidenehex-4-enyl]piperidine

C15H25NO — CID 176939998

IUPAC1-[(Z,2Z)-2-(1-methoxyethylidene)-3-methylidenehex-4-enyl]piperidine
SMILESC=C(/C=C\C)/C(CN1CCCCC1)=C(\C)OC
InChIInChI=1S/C15H25NO/c1-5-9-13(2)15(14(3)17-4)12-16-10-7-6-8-11-16/h5,9H,2,6-8,10-12H2,1,3-4H3/b9-5-,15-14+
InChIKeyPOOVMQMZBVKWLI-USAIWLAJSA-N
MW235.37 g/mol
LogP3.53
Rot. Bonds5

About 1-[(Z,2Z)-2-(1-methoxyethylidene)-3-methylidenehex-4-enyl]piperidine

1-[(Z,2Z)-2-(1-methoxyethylidene)-3-methylidenehex-4-enyl]piperidine (PubChem CID 176939998) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[(Z,2Z)-2-(1-methoxyethylidene)-3-methylidenehex-4-enyl]piperidine.

Molecular Properties

Compound Name1-[(Z,2Z)-2-(1-methoxyethylidene)-3-methylidenehex-4-enyl]piperidine
PubChem CID176939998
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[(Z,2Z)-2-(1-methoxyethylidene)-3-methylidenehex-4-enyl]piperidine
SMILESC=C(/C=C\C)/C(CN1CCCCC1)=C(\C)OC
InChIInChI=1S/C15H25NO/c1-5-9-13(2)15(14(3)17-4)12-16-10-7-6-8-11-16/h5,9H,2,6-8,10-12H2,1,3-4H3/b9-5-,15-14+
InChIKeyPOOVMQMZBVKWLI-USAIWLAJSA-N
XLogP3.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(E,2E)-3-fluoro-2-(1-methoxyethylidene)hex-3-enyl]piperidine
CID 144372382
1-[(4-Methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine
CID 21283386
1-[[(1E,3Z,5E)-3,6,7,7-tetramethylocta-1,3,5-trienoxy]methyl]piperidine
CID 89355303
1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine
CID 118058189
1-[(3Z,5E)-6-[(1E,3Z)-hexa-1,3,5-trienoxy]-2-methylidenehexa-3,5-dienyl]-4-[(3E,5E,7E,9Z,11E)-11-methyltrideca-1,3,5,7,9,11-hexaen-3-yl]piperidine
CID 122651438
N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine
CID 123623340
ethane;4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine
CID 142999628
1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
CID 143205447
ethane;ethene;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethyl-N-methylpiperidin-4-amine
CID 143375785
ethane;ethene;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine
CID 143375871
(3E,4Z)-1-ethyl-4-ethylidene-3-(2-methoxyprop-2-enylidene)piperidine
CID 143866535
1-[2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxyethyl]piperidine
CID 146300647

Frequently Asked Questions

What is the IUPAC name of 1-[(Z,2Z)-2-(1-methoxyethylidene)-3-methylidenehex-4-enyl]piperidine?
The IUPAC name of 1-[(Z,2Z)-2-(1-methoxyethylidene)-3-methylidenehex-4-enyl]piperidine (CID 176939998) is 1-[(Z,2Z)-2-(1-methoxyethylidene)-3-methylidenehex-4-enyl]piperidine.
What is the SMILES notation for 1-[(Z,2Z)-2-(1-methoxyethylidene)-3-methylidenehex-4-enyl]piperidine?
The canonical SMILES for 1-[(Z,2Z)-2-(1-methoxyethylidene)-3-methylidenehex-4-enyl]piperidine is C=C(/C=C\C)/C(CN1CCCCC1)=C(\C)OC.
What is the InChIKey of 1-[(Z,2Z)-2-(1-methoxyethylidene)-3-methylidenehex-4-enyl]piperidine?
The InChIKey is POOVMQMZBVKWLI-USAIWLAJSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-9-13(2)15(14(3)17-4)12-16-10-7-6-8-11-16/h5,9H,2,6-8,10-12H2,1,3-4H3/b9-5-,15-14+.
What are the key properties of 1-[(Z,2Z)-2-(1-methoxyethylidene)-3-methylidenehex-4-enyl]piperidine?
1-[(Z,2Z)-2-(1-methoxyethylidene)-3-methylidenehex-4-enyl]piperidine has a molecular weight of 235.37 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,2Z)-2-(1-methoxyethylidene)-3-methylidenehex-4-enyl]piperidine is sourced from PubChem (CID 176939998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).