1-[4-[(Z)-but-2-en-2-yl]piperidin-4-yl]ethanone

C11H19NO — CID 135190081

IUPAC1-[4-[(Z)-but-2-en-2-yl]piperidin-4-yl]ethanone
SMILESC/C=C(/C)C1(C(C)=O)CCNCC1
InChIInChI=1S/C11H19NO/c1-4-9(2)11(10(3)13)5-7-12-8-6-11/h4,12H,5-8H2,1-3H3/b9-4-
InChIKeyNPIVBZWMSCDBHC-WTKPLQERSA-N
MW181.28 g/mol
LogP1.91
Rot. Bonds2

About 1-[4-[(Z)-but-2-en-2-yl]piperidin-4-yl]ethanone

1-[4-[(Z)-but-2-en-2-yl]piperidin-4-yl]ethanone (PubChem CID 135190081) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-[4-[(Z)-but-2-en-2-yl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(Z)-but-2-en-2-yl]piperidin-4-yl]ethanone
PubChem CID135190081
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-[4-[(Z)-but-2-en-2-yl]piperidin-4-yl]ethanone
SMILESC/C=C(/C)C1(C(C)=O)CCNCC1
InChIInChI=1S/C11H19NO/c1-4-9(2)11(10(3)13)5-7-12-8-6-11/h4,12H,5-8H2,1-3H3/b9-4-
InChIKeyNPIVBZWMSCDBHC-WTKPLQERSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(Z)-but-2-en-2-yl]piperidin-4-yl]ethanone?
The IUPAC name of 1-[4-[(Z)-but-2-en-2-yl]piperidin-4-yl]ethanone (CID 135190081) is 1-[4-[(Z)-but-2-en-2-yl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[4-[(Z)-but-2-en-2-yl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-[4-[(Z)-but-2-en-2-yl]piperidin-4-yl]ethanone is C/C=C(/C)C1(C(C)=O)CCNCC1.
What is the InChIKey of 1-[4-[(Z)-but-2-en-2-yl]piperidin-4-yl]ethanone?
The InChIKey is NPIVBZWMSCDBHC-WTKPLQERSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-9(2)11(10(3)13)5-7-12-8-6-11/h4,12H,5-8H2,1-3H3/b9-4-.
What are the key properties of 1-[4-[(Z)-but-2-en-2-yl]piperidin-4-yl]ethanone?
1-[4-[(Z)-but-2-en-2-yl]piperidin-4-yl]ethanone has a molecular weight of 181.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(Z)-but-2-en-2-yl]piperidin-4-yl]ethanone is sourced from PubChem (CID 135190081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).