(3E,4Z)-1-ethyl-4-ethylidene-3-(2-methoxyprop-2-enylidene)piperidine

C13H21NO — CID 143866535

IUPAC(3E,4Z)-1-ethyl-4-ethylidene-3-(2-methoxyprop-2-enylidene)piperidine
SMILESC=C(/C=C1/CN(CC)CC/C1=C/C)OC
InChIInChI=1S/C13H21NO/c1-5-12-7-8-14(6-2)10-13(12)9-11(3)15-4/h5,9H,3,6-8,10H2,1-2,4H3/b12-5-,13-9-
InChIKeyUQFMFJGZZWGWHN-DENCJBOKSA-N
MW207.32 g/mol
LogP2.74
Rot. Bonds3

About (3E,4Z)-1-ethyl-4-ethylidene-3-(2-methoxyprop-2-enylidene)piperidine

(3E,4Z)-1-ethyl-4-ethylidene-3-(2-methoxyprop-2-enylidene)piperidine (PubChem CID 143866535) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (3E,4Z)-1-ethyl-4-ethylidene-3-(2-methoxyprop-2-enylidene)piperidine.

Molecular Properties

Compound Name(3E,4Z)-1-ethyl-4-ethylidene-3-(2-methoxyprop-2-enylidene)piperidine
PubChem CID143866535
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(3E,4Z)-1-ethyl-4-ethylidene-3-(2-methoxyprop-2-enylidene)piperidine
SMILESC=C(/C=C1/CN(CC)CC/C1=C/C)OC
InChIInChI=1S/C13H21NO/c1-5-12-7-8-14(6-2)10-13(12)9-11(3)15-4/h5,9H,3,6-8,10H2,1-2,4H3/b12-5-,13-9-
InChIKeyUQFMFJGZZWGWHN-DENCJBOKSA-N
XLogP2.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-Fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]piperidine
CID 123168712
(3R)-1-[(2-fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]-3-methylpiperidine
CID 144302531
1-[(3E,5Z)-3-fluoro-7-methoxy-2-methylocta-3,5,7-trienyl]piperidine
CID 144302450
1-[(4-Methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine
CID 21283386
4-(2-Methoxyethylidene)-1-methylpiperidine
CID 59255536
2-ethyl-6,7-dimethoxy-3,4,6,7-tetrahydro-1H-isoquinoline
CID 70249858
(3E,5S)-2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine
CID 89283347
1-[2-[(2E,4Z)-4-ethylhexa-2,4-dien-3-yl]oxyethyl]piperidine
CID 89584110
N-ethyl-N-[iodo-(2-methoxycyclohexa-1,3-dien-1-yl)methyl]ethanamine
CID 89688692
1-[1-(6-Methoxycyclohexa-1,5-dien-1-yl)ethyl]piperidine
CID 89688746
4-(2-Ethyl-4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-methanidylpiperidin-5-ide
CID 91077745
1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine
CID 118058189

Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-1-ethyl-4-ethylidene-3-(2-methoxyprop-2-enylidene)piperidine?
The IUPAC name of (3E,4Z)-1-ethyl-4-ethylidene-3-(2-methoxyprop-2-enylidene)piperidine (CID 143866535) is (3E,4Z)-1-ethyl-4-ethylidene-3-(2-methoxyprop-2-enylidene)piperidine.
What is the SMILES notation for (3E,4Z)-1-ethyl-4-ethylidene-3-(2-methoxyprop-2-enylidene)piperidine?
The canonical SMILES for (3E,4Z)-1-ethyl-4-ethylidene-3-(2-methoxyprop-2-enylidene)piperidine is C=C(/C=C1/CN(CC)CC/C1=C/C)OC.
What is the InChIKey of (3E,4Z)-1-ethyl-4-ethylidene-3-(2-methoxyprop-2-enylidene)piperidine?
The InChIKey is UQFMFJGZZWGWHN-DENCJBOKSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-12-7-8-14(6-2)10-13(12)9-11(3)15-4/h5,9H,3,6-8,10H2,1-2,4H3/b12-5-,13-9-.
What are the key properties of (3E,4Z)-1-ethyl-4-ethylidene-3-(2-methoxyprop-2-enylidene)piperidine?
(3E,4Z)-1-ethyl-4-ethylidene-3-(2-methoxyprop-2-enylidene)piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-1-ethyl-4-ethylidene-3-(2-methoxyprop-2-enylidene)piperidine is sourced from PubChem (CID 143866535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).