4-but-3-enoxypiperidine

C9H17NO — CID 18337193

IUPAC4-but-3-enoxypiperidine
SMILESC=CCCOC1CCNCC1
InChIInChI=1S/C9H17NO/c1-2-3-8-11-9-4-6-10-7-5-9/h2,9-10H,1,3-8H2
InChIKeyHYNNHULWKMZCDM-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds4

About 4-but-3-enoxypiperidine

4-but-3-enoxypiperidine (PubChem CID 18337193) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-but-3-enoxypiperidine.

Molecular Properties

Compound Name4-but-3-enoxypiperidine
PubChem CID18337193
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-but-3-enoxypiperidine
SMILESC=CCCOC1CCNCC1
InChIInChI=1S/C9H17NO/c1-2-3-8-11-9-4-6-10-7-5-9/h2,9-10H,1,3-8H2
InChIKeyHYNNHULWKMZCDM-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxypiperidine?
The IUPAC name of 4-but-3-enoxypiperidine (CID 18337193) is 4-but-3-enoxypiperidine.
What is the SMILES notation for 4-but-3-enoxypiperidine?
The canonical SMILES for 4-but-3-enoxypiperidine is C=CCCOC1CCNCC1.
What is the InChIKey of 4-but-3-enoxypiperidine?
The InChIKey is HYNNHULWKMZCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-8-11-9-4-6-10-7-5-9/h2,9-10H,1,3-8H2.
What are the key properties of 4-but-3-enoxypiperidine?
4-but-3-enoxypiperidine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxypiperidine is sourced from PubChem (CID 18337193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).