3,4-bis(prop-2-enyl)piperidine

C11H19N — CID 21110354

IUPAC3,4-bis(prop-2-enyl)piperidine
SMILESC=CCC1CCNCC1CC=C
InChIInChI=1S/C11H19N/c1-3-5-10-7-8-12-9-11(10)6-4-2/h3-4,10-12H,1-2,5-9H2
InChIKeyLHGNUXRZUJVDHZ-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.36
Rot. Bonds4

About 3,4-bis(prop-2-enyl)piperidine

3,4-bis(prop-2-enyl)piperidine (PubChem CID 21110354) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3,4-bis(prop-2-enyl)piperidine.

Molecular Properties

Compound Name3,4-bis(prop-2-enyl)piperidine
PubChem CID21110354
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name3,4-bis(prop-2-enyl)piperidine
SMILESC=CCC1CCNCC1CC=C
InChIInChI=1S/C11H19N/c1-3-5-10-7-8-12-9-11(10)6-4-2/h3-4,10-12H,1-2,5-9H2
InChIKeyLHGNUXRZUJVDHZ-UHFFFAOYSA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.36
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 3,4-bis(prop-2-enyl)piperidine?
The IUPAC name of 3,4-bis(prop-2-enyl)piperidine (CID 21110354) is 3,4-bis(prop-2-enyl)piperidine.
What is the SMILES notation for 3,4-bis(prop-2-enyl)piperidine?
The canonical SMILES for 3,4-bis(prop-2-enyl)piperidine is C=CCC1CCNCC1CC=C.
What is the InChIKey of 3,4-bis(prop-2-enyl)piperidine?
The InChIKey is LHGNUXRZUJVDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-5-10-7-8-12-9-11(10)6-4-2/h3-4,10-12H,1-2,5-9H2.
What are the key properties of 3,4-bis(prop-2-enyl)piperidine?
3,4-bis(prop-2-enyl)piperidine has a molecular weight of 165.28 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(prop-2-enyl)piperidine is sourced from PubChem (CID 21110354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).