1,3-bis(prop-1-en-2-yl)piperidine

C11H19N — CID 20654758

IUPAC1,3-bis(prop-1-en-2-yl)piperidine
SMILESC=C(C)C1CCCN(C(=C)C)C1
InChIInChI=1S/C11H19N/c1-9(2)11-6-5-7-12(8-11)10(3)4/h11H,1,3,5-8H2,2,4H3
InChIKeyXRQITQKWMQXAGS-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.81
Rot. Bonds2

About 1,3-bis(prop-1-en-2-yl)piperidine

1,3-bis(prop-1-en-2-yl)piperidine (PubChem CID 20654758) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1,3-bis(prop-1-en-2-yl)piperidine.

Molecular Properties

Compound Name1,3-bis(prop-1-en-2-yl)piperidine
PubChem CID20654758
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1,3-bis(prop-1-en-2-yl)piperidine
SMILESC=C(C)C1CCCN(C(=C)C)C1
InChIInChI=1S/C11H19N/c1-9(2)11-6-5-7-12(8-11)10(3)4/h11H,1,3,5-8H2,2,4H3
InChIKeyXRQITQKWMQXAGS-UHFFFAOYSA-N
XLogP2.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
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 1,3-bis(prop-1-en-2-yl)piperidine?
The IUPAC name of 1,3-bis(prop-1-en-2-yl)piperidine (CID 20654758) is 1,3-bis(prop-1-en-2-yl)piperidine.
What is the SMILES notation for 1,3-bis(prop-1-en-2-yl)piperidine?
The canonical SMILES for 1,3-bis(prop-1-en-2-yl)piperidine is C=C(C)C1CCCN(C(=C)C)C1.
What is the InChIKey of 1,3-bis(prop-1-en-2-yl)piperidine?
The InChIKey is XRQITQKWMQXAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-9(2)11-6-5-7-12(8-11)10(3)4/h11H,1,3,5-8H2,2,4H3.
What are the key properties of 1,3-bis(prop-1-en-2-yl)piperidine?
1,3-bis(prop-1-en-2-yl)piperidine has a molecular weight of 165.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-1-en-2-yl)piperidine is sourced from PubChem (CID 20654758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).