4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine

C11H19NO — CID 142245491

IUPAC4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine
SMILESC=CO/C=C\C(C)C1CCNCC1
InChIInChI=1S/C11H19NO/c1-3-13-9-6-10(2)11-4-7-12-8-5-11/h3,6,9-12H,1,4-5,7-8H2,2H3/b9-6-
InChIKeyLSRLNODVDTZVBI-TWGQIWQCSA-N
MW181.28 g/mol
LogP2.30
Rot. Bonds4

About 4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine

4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine (PubChem CID 142245491) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine.

Molecular Properties

Compound Name4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine
PubChem CID142245491
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine
SMILESC=CO/C=C\C(C)C1CCNCC1
InChIInChI=1S/C11H19NO/c1-3-13-9-6-10(2)11-4-7-12-8-5-11/h3,6,9-12H,1,4-5,7-8H2,2H3/b9-6-
InChIKeyLSRLNODVDTZVBI-TWGQIWQCSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine?
The IUPAC name of 4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine (CID 142245491) is 4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine.
What is the SMILES notation for 4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine?
The canonical SMILES for 4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine is C=CO/C=C\C(C)C1CCNCC1.
What is the InChIKey of 4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine?
The InChIKey is LSRLNODVDTZVBI-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-13-9-6-10(2)11-4-7-12-8-5-11/h3,6,9-12H,1,4-5,7-8H2,2H3/b9-6-.
What are the key properties of 4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine?
4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine has a molecular weight of 181.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-4-ethenoxybut-3-en-2-yl]piperidine is sourced from PubChem (CID 142245491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).