4-(2-ethylbutylidene)piperidine

C11H21N — CID 82934807

IUPAC4-(2-ethylbutylidene)piperidine
SMILESCCC(C=C1CCNCC1)CC
InChIInChI=1S/C11H21N/c1-3-10(4-2)9-11-5-7-12-8-6-11/h9-10,12H,3-8H2,1-2H3
InChIKeyGJUYLTVWUIFNJR-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.73
Rot. Bonds3

About 4-(2-ethylbutylidene)piperidine

4-(2-ethylbutylidene)piperidine (PubChem CID 82934807) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 4-(2-ethylbutylidene)piperidine.

Molecular Properties

Compound Name4-(2-ethylbutylidene)piperidine
PubChem CID82934807
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name4-(2-ethylbutylidene)piperidine
SMILESCCC(C=C1CCNCC1)CC
InChIInChI=1S/C11H21N/c1-3-10(4-2)9-11-5-7-12-8-6-11/h9-10,12H,3-8H2,1-2H3
InChIKeyGJUYLTVWUIFNJR-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutylidene)piperidine?
The IUPAC name of 4-(2-ethylbutylidene)piperidine (CID 82934807) is 4-(2-ethylbutylidene)piperidine.
What is the SMILES notation for 4-(2-ethylbutylidene)piperidine?
The canonical SMILES for 4-(2-ethylbutylidene)piperidine is CCC(C=C1CCNCC1)CC.
What is the InChIKey of 4-(2-ethylbutylidene)piperidine?
The InChIKey is GJUYLTVWUIFNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-10(4-2)9-11-5-7-12-8-6-11/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 4-(2-ethylbutylidene)piperidine?
4-(2-ethylbutylidene)piperidine has a molecular weight of 167.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutylidene)piperidine is sourced from PubChem (CID 82934807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).