1,1-bis(prop-2-enyl)piperidin-1-ium

C11H20N+ — CID 13153003

IUPAC1,1-bis(prop-2-enyl)piperidin-1-ium
SMILESC=CC[N+]1(CC=C)CCCCC1
InChIInChI=1S/C11H20N/c1-3-8-12(9-4-2)10-6-5-7-11-12/h3-4H,1-2,5-11H2/q+1
InChIKeyXEANBRXORPSMFS-UHFFFAOYSA-N
MW166.29 g/mol
LogP2.36
Rot. Bonds4

About 1,1-bis(prop-2-enyl)piperidin-1-ium

1,1-bis(prop-2-enyl)piperidin-1-ium (PubChem CID 13153003) has the molecular formula C11H20N+ and a molecular weight of 166.29 g/mol. Its IUPAC name is 1,1-bis(prop-2-enyl)piperidin-1-ium.

Molecular Properties

Compound Name1,1-bis(prop-2-enyl)piperidin-1-ium
PubChem CID13153003
Molecular FormulaC11H20N+
Molecular Weight166.29 g/mol
Exact Mass166.16
IUPAC Name1,1-bis(prop-2-enyl)piperidin-1-ium
SMILESC=CC[N+]1(CC=C)CCCCC1
InChIInChI=1S/C11H20N/c1-3-8-12(9-4-2)10-6-5-7-11-12/h3-4H,1-2,5-11H2/q+1
InChIKeyXEANBRXORPSMFS-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(prop-2-enyl)piperidin-1-ium?
The IUPAC name of 1,1-bis(prop-2-enyl)piperidin-1-ium (CID 13153003) is 1,1-bis(prop-2-enyl)piperidin-1-ium.
What is the SMILES notation for 1,1-bis(prop-2-enyl)piperidin-1-ium?
The canonical SMILES for 1,1-bis(prop-2-enyl)piperidin-1-ium is C=CC[N+]1(CC=C)CCCCC1.
What is the InChIKey of 1,1-bis(prop-2-enyl)piperidin-1-ium?
The InChIKey is XEANBRXORPSMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N/c1-3-8-12(9-4-2)10-6-5-7-11-12/h3-4H,1-2,5-11H2/q+1.
What are the key properties of 1,1-bis(prop-2-enyl)piperidin-1-ium?
1,1-bis(prop-2-enyl)piperidin-1-ium has a molecular weight of 166.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(prop-2-enyl)piperidin-1-ium is sourced from PubChem (CID 13153003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).