(4Z)-4-[(Z)-2,3-dimethoxybut-2-enylidene]-3-ethenyl-1-methylpiperidine;ethane

C16H29NO2 — CID 143866566

IUPAC(4Z)-4-[(Z)-2,3-dimethoxybut-2-enylidene]-3-ethenyl-1-methylpiperidine;ethane
SMILESC=CC1CN(C)CC/C1=C/C(OC)=C(\C)OC.CC
InChIInChI=1S/C14H23NO2.C2H6/c1-6-12-10-15(3)8-7-13(12)9-14(17-5)11(2)16-4;1-2/h6,9,12H,1,7-8,10H2,2-5H3;1-2H3/b13-9-,14-11-;
InChIKeyDXNYUAVQEIUGHX-ZITZHUFQSA-N
MW267.41 g/mol
LogP3.60
Rot. Bonds4

About (4Z)-4-[(Z)-2,3-dimethoxybut-2-enylidene]-3-ethenyl-1-methylpiperidine;ethane

(4Z)-4-[(Z)-2,3-dimethoxybut-2-enylidene]-3-ethenyl-1-methylpiperidine;ethane (PubChem CID 143866566) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (4Z)-4-[(Z)-2,3-dimethoxybut-2-enylidene]-3-ethenyl-1-methylpiperidine;ethane.

Molecular Properties

Compound Name(4Z)-4-[(Z)-2,3-dimethoxybut-2-enylidene]-3-ethenyl-1-methylpiperidine;ethane
PubChem CID143866566
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(4Z)-4-[(Z)-2,3-dimethoxybut-2-enylidene]-3-ethenyl-1-methylpiperidine;ethane
SMILESC=CC1CN(C)CC/C1=C/C(OC)=C(\C)OC.CC
InChIInChI=1S/C14H23NO2.C2H6/c1-6-12-10-15(3)8-7-13(12)9-14(17-5)11(2)16-4;1-2/h6,9,12H,1,7-8,10H2,2-5H3;1-2H3/b13-9-,14-11-;
InChIKeyDXNYUAVQEIUGHX-ZITZHUFQSA-N
XLogP3.60
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinoline
CID 130246078
1-[(2E,4Z)-3-ethoxy-6-fluorohepta-2,4,6-trienyl]-3-methyl-4-[(E)-pent-2-en-2-yl]oxypiperidine
CID 134405162
(3R)-1-[(2-fluoro-6-methoxycyclohexa-1,5-dien-1-yl)methyl]-3-methylpiperidine
CID 144302531
(3S)-1-[[3-(difluoromethoxy)cyclohexa-2,4-dien-1-yl]methyl]-3-propan-2-ylpiperidine
CID 163644112
1-[(3E,5Z)-3-fluoro-7-methoxy-2-methylocta-3,5,7-trienyl]piperidine
CID 144302450
(3Z)-12-methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(15),3,5,7,18-pentaene;hydrochloride
CID 20509355
1-[(4-Methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine
CID 21283386
12-Methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(15),3,5,7,18-pentaene
CID 56636282
1-[1-[3-(5-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)prop-2-enoxy]propyl]piperidine
CID 69046520
4-(2-Ethyl-4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-methanidylpiperidin-5-ide
CID 91077745
1-[(3Z,5Z)-7-[(2E,4Z)-hepta-2,4-dien-3-yl]oxyocta-3,5-dienyl]-4-[4-[(1E,3Z,5E)-5-methylhepta-1,3,5-trienyl]cyclohexa-1,5-dien-1-yl]piperidine
CID 122651439
4-(3-Methoxy-4,6-dimethylcyclohexa-2,4-dien-1-yl)-1-methylpiperidine
CID 126490204

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(Z)-2,3-dimethoxybut-2-enylidene]-3-ethenyl-1-methylpiperidine;ethane?
The IUPAC name of (4Z)-4-[(Z)-2,3-dimethoxybut-2-enylidene]-3-ethenyl-1-methylpiperidine;ethane (CID 143866566) is (4Z)-4-[(Z)-2,3-dimethoxybut-2-enylidene]-3-ethenyl-1-methylpiperidine;ethane.
What is the SMILES notation for (4Z)-4-[(Z)-2,3-dimethoxybut-2-enylidene]-3-ethenyl-1-methylpiperidine;ethane?
The canonical SMILES for (4Z)-4-[(Z)-2,3-dimethoxybut-2-enylidene]-3-ethenyl-1-methylpiperidine;ethane is C=CC1CN(C)CC/C1=C/C(OC)=C(\C)OC.CC.
What is the InChIKey of (4Z)-4-[(Z)-2,3-dimethoxybut-2-enylidene]-3-ethenyl-1-methylpiperidine;ethane?
The InChIKey is DXNYUAVQEIUGHX-ZITZHUFQSA-N. The full InChI is InChI=1S/C14H23NO2.C2H6/c1-6-12-10-15(3)8-7-13(12)9-14(17-5)11(2)16-4;1-2/h6,9,12H,1,7-8,10H2,2-5H3;1-2H3/b13-9-,14-11-;.
What are the key properties of (4Z)-4-[(Z)-2,3-dimethoxybut-2-enylidene]-3-ethenyl-1-methylpiperidine;ethane?
(4Z)-4-[(Z)-2,3-dimethoxybut-2-enylidene]-3-ethenyl-1-methylpiperidine;ethane has a molecular weight of 267.41 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(Z)-2,3-dimethoxybut-2-enylidene]-3-ethenyl-1-methylpiperidine;ethane is sourced from PubChem (CID 143866566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).