ethyl (E)-4-piperidin-2-ylbut-2-enoate

C11H19NO2 — CID 12070400

IUPACethyl (E)-4-piperidin-2-ylbut-2-enoate
SMILESCCOC(=O)/C=C/CC1CCCCN1
InChIInChI=1S/C11H19NO2/c1-2-14-11(13)8-5-7-10-6-3-4-9-12-10/h5,8,10,12H,2-4,6-7,9H2,1H3/b8-5+
InChIKeyYSVICFSQVKBQII-VMPITWQZSA-N
MW197.28 g/mol
LogP1.64
Rot. Bonds4

About ethyl (E)-4-piperidin-2-ylbut-2-enoate

ethyl (E)-4-piperidin-2-ylbut-2-enoate (PubChem CID 12070400) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl (E)-4-piperidin-2-ylbut-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-piperidin-2-ylbut-2-enoate
PubChem CID12070400
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl (E)-4-piperidin-2-ylbut-2-enoate
SMILESCCOC(=O)/C=C/CC1CCCCN1
InChIInChI=1S/C11H19NO2/c1-2-14-11(13)8-5-7-10-6-3-4-9-12-10/h5,8,10,12H,2-4,6-7,9H2,1H3/b8-5+
InChIKeyYSVICFSQVKBQII-VMPITWQZSA-N
XLogP1.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.64
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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Related Compounds

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(E)-Ethyl 3-(piperidin-4-yl)acrylate
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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-piperidin-2-ylbut-2-enoate?
The IUPAC name of ethyl (E)-4-piperidin-2-ylbut-2-enoate (CID 12070400) is ethyl (E)-4-piperidin-2-ylbut-2-enoate.
What is the SMILES notation for ethyl (E)-4-piperidin-2-ylbut-2-enoate?
The canonical SMILES for ethyl (E)-4-piperidin-2-ylbut-2-enoate is CCOC(=O)/C=C/CC1CCCCN1.
What is the InChIKey of ethyl (E)-4-piperidin-2-ylbut-2-enoate?
The InChIKey is YSVICFSQVKBQII-VMPITWQZSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-14-11(13)8-5-7-10-6-3-4-9-12-10/h5,8,10,12H,2-4,6-7,9H2,1H3/b8-5+.
What are the key properties of ethyl (E)-4-piperidin-2-ylbut-2-enoate?
ethyl (E)-4-piperidin-2-ylbut-2-enoate has a molecular weight of 197.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-piperidin-2-ylbut-2-enoate is sourced from PubChem (CID 12070400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).