2-(2-but-2-enoxyethyl)piperidine

C11H21NO — CID 76940493

IUPAC2-(2-but-2-enoxyethyl)piperidine
SMILESCC=CCOCCC1CCCCN1
InChIInChI=1S/C11H21NO/c1-2-3-9-13-10-7-11-6-4-5-8-12-11/h2-3,11-12H,4-10H2,1H3
InChIKeyARFGWKRQNDTJLQ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds5

About 2-(2-but-2-enoxyethyl)piperidine

2-(2-but-2-enoxyethyl)piperidine (PubChem CID 76940493) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(2-but-2-enoxyethyl)piperidine.

Molecular Properties

Compound Name2-(2-but-2-enoxyethyl)piperidine
PubChem CID76940493
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(2-but-2-enoxyethyl)piperidine
SMILESCC=CCOCCC1CCCCN1
InChIInChI=1S/C11H21NO/c1-2-3-9-13-10-7-11-6-4-5-8-12-11/h2-3,11-12H,4-10H2,1H3
InChIKeyARFGWKRQNDTJLQ-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
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 2-(2-but-2-enoxyethyl)piperidine?
The IUPAC name of 2-(2-but-2-enoxyethyl)piperidine (CID 76940493) is 2-(2-but-2-enoxyethyl)piperidine.
What is the SMILES notation for 2-(2-but-2-enoxyethyl)piperidine?
The canonical SMILES for 2-(2-but-2-enoxyethyl)piperidine is CC=CCOCCC1CCCCN1.
What is the InChIKey of 2-(2-but-2-enoxyethyl)piperidine?
The InChIKey is ARFGWKRQNDTJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-9-13-10-7-11-6-4-5-8-12-11/h2-3,11-12H,4-10H2,1H3.
What are the key properties of 2-(2-but-2-enoxyethyl)piperidine?
2-(2-but-2-enoxyethyl)piperidine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-2-enoxyethyl)piperidine is sourced from PubChem (CID 76940493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).