methyl 2-piperidin-4-ylideneacetate

C8H13NO2 — CID 19391295

IUPACmethyl 2-piperidin-4-ylideneacetate
SMILESCOC(=O)C=C1CCNCC1
InChIInChI=1S/C8H13NO2/c1-11-8(10)6-7-2-4-9-5-3-7/h6,9H,2-5H2,1H3
InChIKeyQIHNJSDHEAOBSZ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.47
Rot. Bonds1

About methyl 2-piperidin-4-ylideneacetate

methyl 2-piperidin-4-ylideneacetate (PubChem CID 19391295) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl 2-piperidin-4-ylideneacetate.

Molecular Properties

Compound Namemethyl 2-piperidin-4-ylideneacetate
PubChem CID19391295
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl 2-piperidin-4-ylideneacetate
SMILESCOC(=O)C=C1CCNCC1
InChIInChI=1S/C8H13NO2/c1-11-8(10)6-7-2-4-9-5-3-7/h6,9H,2-5H2,1H3
InChIKeyQIHNJSDHEAOBSZ-UHFFFAOYSA-N
XLogP0.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-piperidin-4-ylideneacetate?
The IUPAC name of methyl 2-piperidin-4-ylideneacetate (CID 19391295) is methyl 2-piperidin-4-ylideneacetate.
What is the SMILES notation for methyl 2-piperidin-4-ylideneacetate?
The canonical SMILES for methyl 2-piperidin-4-ylideneacetate is COC(=O)C=C1CCNCC1.
What is the InChIKey of methyl 2-piperidin-4-ylideneacetate?
The InChIKey is QIHNJSDHEAOBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-11-8(10)6-7-2-4-9-5-3-7/h6,9H,2-5H2,1H3.
What are the key properties of methyl 2-piperidin-4-ylideneacetate?
methyl 2-piperidin-4-ylideneacetate has a molecular weight of 155.20 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-piperidin-4-ylideneacetate is sourced from PubChem (CID 19391295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).