1,3-bis(ethenyl)piperidine

C9H15N — CID 121376484

IUPAC1,3-bis(ethenyl)piperidine
SMILESC=CC1CCCN(C=C)C1
InChIInChI=1S/C9H15N/c1-3-9-6-5-7-10(4-2)8-9/h3-4,9H,1-2,5-8H2
InChIKeyPHCPTMCPPZATDC-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.03
Rot. Bonds2

About 1,3-bis(ethenyl)piperidine

1,3-bis(ethenyl)piperidine (PubChem CID 121376484) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1,3-bis(ethenyl)piperidine.

Molecular Properties

Compound Name1,3-bis(ethenyl)piperidine
PubChem CID121376484
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1,3-bis(ethenyl)piperidine
SMILESC=CC1CCCN(C=C)C1
InChIInChI=1S/C9H15N/c1-3-9-6-5-7-10(4-2)8-9/h3-4,9H,1-2,5-8H2
InChIKeyPHCPTMCPPZATDC-UHFFFAOYSA-N
XLogP2.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.03
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(ethenyl)piperidine?
The IUPAC name of 1,3-bis(ethenyl)piperidine (CID 121376484) is 1,3-bis(ethenyl)piperidine.
What is the SMILES notation for 1,3-bis(ethenyl)piperidine?
The canonical SMILES for 1,3-bis(ethenyl)piperidine is C=CC1CCCN(C=C)C1.
What is the InChIKey of 1,3-bis(ethenyl)piperidine?
The InChIKey is PHCPTMCPPZATDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-9-6-5-7-10(4-2)8-9/h3-4,9H,1-2,5-8H2.
What are the key properties of 1,3-bis(ethenyl)piperidine?
1,3-bis(ethenyl)piperidine has a molecular weight of 137.23 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenyl)piperidine is sourced from PubChem (CID 121376484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).