methyl 2-[(3Z)-3-ethylidene-1-methylpiperidin-4-yl]acetate

C11H19NO2 — CID 122682387

IUPACmethyl 2-[(3Z)-3-ethylidene-1-methylpiperidin-4-yl]acetate
SMILESC/C=C1\CN(C)CCC1CC(=O)OC
InChIInChI=1S/C11H19NO2/c1-4-9-8-12(2)6-5-10(9)7-11(13)14-3/h4,10H,5-8H2,1-3H3/b9-4+
InChIKeySBOCSDBZEDWURI-RUDMXATFSA-N
MW197.28 g/mol
LogP1.45
Rot. Bonds2

About methyl 2-[(3Z)-3-ethylidene-1-methylpiperidin-4-yl]acetate

methyl 2-[(3Z)-3-ethylidene-1-methylpiperidin-4-yl]acetate (PubChem CID 122682387) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl 2-[(3Z)-3-ethylidene-1-methylpiperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3Z)-3-ethylidene-1-methylpiperidin-4-yl]acetate
PubChem CID122682387
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl 2-[(3Z)-3-ethylidene-1-methylpiperidin-4-yl]acetate
SMILESC/C=C1\CN(C)CCC1CC(=O)OC
InChIInChI=1S/C11H19NO2/c1-4-9-8-12(2)6-5-10(9)7-11(13)14-3/h4,10H,5-8H2,1-3H3/b9-4+
InChIKeySBOCSDBZEDWURI-RUDMXATFSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-[(3Z)-3-ethylidene-1-methylpiperidin-4-yl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3Z)-3-ethylidene-1-methylpiperidin-4-yl]acetate?
The IUPAC name of methyl 2-[(3Z)-3-ethylidene-1-methylpiperidin-4-yl]acetate (CID 122682387) is methyl 2-[(3Z)-3-ethylidene-1-methylpiperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[(3Z)-3-ethylidene-1-methylpiperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[(3Z)-3-ethylidene-1-methylpiperidin-4-yl]acetate is C/C=C1\CN(C)CCC1CC(=O)OC.
What is the InChIKey of methyl 2-[(3Z)-3-ethylidene-1-methylpiperidin-4-yl]acetate?
The InChIKey is SBOCSDBZEDWURI-RUDMXATFSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-9-8-12(2)6-5-10(9)7-11(13)14-3/h4,10H,5-8H2,1-3H3/b9-4+.
What are the key properties of methyl 2-[(3Z)-3-ethylidene-1-methylpiperidin-4-yl]acetate?
methyl 2-[(3Z)-3-ethylidene-1-methylpiperidin-4-yl]acetate has a molecular weight of 197.28 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3Z)-3-ethylidene-1-methylpiperidin-4-yl]acetate is sourced from PubChem (CID 122682387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).