2-piperidin-1-ylethyl (E)-but-2-enoate

C11H19NO2 — CID 12794326

IUPAC2-piperidin-1-ylethyl (E)-but-2-enoate
SMILESC/C=C/C(=O)OCCN1CCCCC1
InChIInChI=1S/C11H19NO2/c1-2-6-11(13)14-10-9-12-7-4-3-5-8-12/h2,6H,3-5,7-10H2,1H3/b6-2+
InChIKeyRWKCPXKFPIKDDD-QHHAFSJGSA-N
MW197.28 g/mol
LogP1.59
Rot. Bonds4

About 2-piperidin-1-ylethyl (E)-but-2-enoate

2-piperidin-1-ylethyl (E)-but-2-enoate (PubChem CID 12794326) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl (E)-but-2-enoate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl (E)-but-2-enoate
PubChem CID12794326
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-piperidin-1-ylethyl (E)-but-2-enoate
SMILESC/C=C/C(=O)OCCN1CCCCC1
InChIInChI=1S/C11H19NO2/c1-2-6-11(13)14-10-9-12-7-4-3-5-8-12/h2,6H,3-5,7-10H2,1H3/b6-2+
InChIKeyRWKCPXKFPIKDDD-QHHAFSJGSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl (E)-but-2-enoate?
The IUPAC name of 2-piperidin-1-ylethyl (E)-but-2-enoate (CID 12794326) is 2-piperidin-1-ylethyl (E)-but-2-enoate.
What is the SMILES notation for 2-piperidin-1-ylethyl (E)-but-2-enoate?
The canonical SMILES for 2-piperidin-1-ylethyl (E)-but-2-enoate is C/C=C/C(=O)OCCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylethyl (E)-but-2-enoate?
The InChIKey is RWKCPXKFPIKDDD-QHHAFSJGSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-6-11(13)14-10-9-12-7-4-3-5-8-12/h2,6H,3-5,7-10H2,1H3/b6-2+.
What are the key properties of 2-piperidin-1-ylethyl (E)-but-2-enoate?
2-piperidin-1-ylethyl (E)-but-2-enoate has a molecular weight of 197.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl (E)-but-2-enoate is sourced from PubChem (CID 12794326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).