4-pent-4-enoxypiperidine

C10H19NO — CID 53409914

IUPAC4-pent-4-enoxypiperidine
SMILESC=CCCCOC1CCNCC1
InChIInChI=1S/C10H19NO/c1-2-3-4-9-12-10-5-7-11-8-6-10/h2,10-11H,1,3-9H2
InChIKeyYDJMXVWIDXZGMG-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds5

About 4-pent-4-enoxypiperidine

4-pent-4-enoxypiperidine (PubChem CID 53409914) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-pent-4-enoxypiperidine.

Molecular Properties

Compound Name4-pent-4-enoxypiperidine
PubChem CID53409914
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-pent-4-enoxypiperidine
SMILESC=CCCCOC1CCNCC1
InChIInChI=1S/C10H19NO/c1-2-3-4-9-12-10-5-7-11-8-6-10/h2,10-11H,1,3-9H2
InChIKeyYDJMXVWIDXZGMG-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
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-pent-4-enoxypiperidine?
The IUPAC name of 4-pent-4-enoxypiperidine (CID 53409914) is 4-pent-4-enoxypiperidine.
What is the SMILES notation for 4-pent-4-enoxypiperidine?
The canonical SMILES for 4-pent-4-enoxypiperidine is C=CCCCOC1CCNCC1.
What is the InChIKey of 4-pent-4-enoxypiperidine?
The InChIKey is YDJMXVWIDXZGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-4-9-12-10-5-7-11-8-6-10/h2,10-11H,1,3-9H2.
What are the key properties of 4-pent-4-enoxypiperidine?
4-pent-4-enoxypiperidine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pent-4-enoxypiperidine is sourced from PubChem (CID 53409914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).