1-(2-buta-1,3-dien-2-yloxyethyl)piperidine

C11H19NO — CID 88867291

IUPAC1-(2-buta-1,3-dien-2-yloxyethyl)piperidine
SMILESC=CC(=C)OCCN1CCCCC1
InChIInChI=1S/C11H19NO/c1-3-11(2)13-10-9-12-7-5-4-6-8-12/h3H,1-2,4-10H2
InChIKeyJGGLGQZLAWPWMK-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.19
Rot. Bonds5

About 1-(2-buta-1,3-dien-2-yloxyethyl)piperidine

1-(2-buta-1,3-dien-2-yloxyethyl)piperidine (PubChem CID 88867291) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(2-buta-1,3-dien-2-yloxyethyl)piperidine.

Molecular Properties

Compound Name1-(2-buta-1,3-dien-2-yloxyethyl)piperidine
PubChem CID88867291
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(2-buta-1,3-dien-2-yloxyethyl)piperidine
SMILESC=CC(=C)OCCN1CCCCC1
InChIInChI=1S/C11H19NO/c1-3-11(2)13-10-9-12-7-5-4-6-8-12/h3H,1-2,4-10H2
InChIKeyJGGLGQZLAWPWMK-UHFFFAOYSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-buta-1,3-dien-2-yloxyethyl)piperidine?
The IUPAC name of 1-(2-buta-1,3-dien-2-yloxyethyl)piperidine (CID 88867291) is 1-(2-buta-1,3-dien-2-yloxyethyl)piperidine.
What is the SMILES notation for 1-(2-buta-1,3-dien-2-yloxyethyl)piperidine?
The canonical SMILES for 1-(2-buta-1,3-dien-2-yloxyethyl)piperidine is C=CC(=C)OCCN1CCCCC1.
What is the InChIKey of 1-(2-buta-1,3-dien-2-yloxyethyl)piperidine?
The InChIKey is JGGLGQZLAWPWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-11(2)13-10-9-12-7-5-4-6-8-12/h3H,1-2,4-10H2.
What are the key properties of 1-(2-buta-1,3-dien-2-yloxyethyl)piperidine?
1-(2-buta-1,3-dien-2-yloxyethyl)piperidine has a molecular weight of 181.28 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-buta-1,3-dien-2-yloxyethyl)piperidine is sourced from PubChem (CID 88867291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).