ethyl (2E)-2-(1,2-dimethylpiperidin-3-ylidene)acetate

C11H19NO2 — CID 83847801

IUPACethyl (2E)-2-(1,2-dimethylpiperidin-3-ylidene)acetate
SMILESCCOC(=O)/C=C1\CCCN(C)C1C
InChIInChI=1S/C11H19NO2/c1-4-14-11(13)8-10-6-5-7-12(3)9(10)2/h8-9H,4-7H2,1-3H3/b10-8+
InChIKeyZTAUYCDFPQXOJZ-CSKARUKUSA-N
MW197.28 g/mol
LogP1.59
Rot. Bonds2

About ethyl (2E)-2-(1,2-dimethylpiperidin-3-ylidene)acetate

ethyl (2E)-2-(1,2-dimethylpiperidin-3-ylidene)acetate (PubChem CID 83847801) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl (2E)-2-(1,2-dimethylpiperidin-3-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(1,2-dimethylpiperidin-3-ylidene)acetate
PubChem CID83847801
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl (2E)-2-(1,2-dimethylpiperidin-3-ylidene)acetate
SMILESCCOC(=O)/C=C1\CCCN(C)C1C
InChIInChI=1S/C11H19NO2/c1-4-14-11(13)8-10-6-5-7-12(3)9(10)2/h8-9H,4-7H2,1-3H3/b10-8+
InChIKeyZTAUYCDFPQXOJZ-CSKARUKUSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (2E)-2-(1,2-dimethylpiperidin-3-ylidene)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-Dehydro-3-tigloyloxytropane
CID 129846299
ethyl (E)-3-(5,5-difluoro-1-methylpiperidin-2-yl)prop-2-enoate
CID 122416810
ethyl (2E)-2-(3-fluoro-1-methylpiperidin-4-ylidene)acetate
CID 143028213
Ethyl 2-(1-butan-2-ylpiperidin-4-ylidene)-2-fluoroacetate
CID 167468125
Ethyl 2-(1-methylpiperidin-4-ylidene)acetate
CID 274828
[(E)-3,7-dimethyl-6-piperidin-1-yloct-2-enyl] acetate
CID 134956061
methyl (9aR)-4,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carboxylate
CID 139265277
ethyl (2E)-2-fluoro-2-(1-methylpiperidin-3-ylidene)acetate
CID 132608969
ethyl (2E)-2-(1-ethylpiperidin-3-ylidene)-2-fluoroacetate
CID 132608970
ethyl (2E)-2-fluoro-2-(1-prop-2-enylpiperidin-3-ylidene)acetate
CID 132608971
ethyl 3-[(2S)-1-tert-butyl-5,5-difluoropiperidin-2-yl]prop-2-enoate
CID 151785741
tert-butyl 2-[(Z)-1-ethoxy-1-oxohept-2-en-3-yl]piperidine-1-carboxylate
CID 10735851

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(1,2-dimethylpiperidin-3-ylidene)acetate?
The IUPAC name of ethyl (2E)-2-(1,2-dimethylpiperidin-3-ylidene)acetate (CID 83847801) is ethyl (2E)-2-(1,2-dimethylpiperidin-3-ylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-(1,2-dimethylpiperidin-3-ylidene)acetate?
The canonical SMILES for ethyl (2E)-2-(1,2-dimethylpiperidin-3-ylidene)acetate is CCOC(=O)/C=C1\CCCN(C)C1C.
What is the InChIKey of ethyl (2E)-2-(1,2-dimethylpiperidin-3-ylidene)acetate?
The InChIKey is ZTAUYCDFPQXOJZ-CSKARUKUSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-14-11(13)8-10-6-5-7-12(3)9(10)2/h8-9H,4-7H2,1-3H3/b10-8+.
What are the key properties of ethyl (2E)-2-(1,2-dimethylpiperidin-3-ylidene)acetate?
ethyl (2E)-2-(1,2-dimethylpiperidin-3-ylidene)acetate has a molecular weight of 197.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(1,2-dimethylpiperidin-3-ylidene)acetate is sourced from PubChem (CID 83847801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).