4-[3-[1,1-bis(prop-2-enyl)piperidin-1-ium-4-yl]propyl]-1,1-bis(prop-2-enyl)piperidin-1-ium

C25H44N2+2 — CID 59110842

IUPAC4-[3-[1,1-bis(prop-2-enyl)piperidin-1-ium-4-yl]propyl]-1,1-bis(prop-2-enyl)piperidin-1-ium
SMILESC=CC[N+]1(CC=C)CCC(CCCC2CC[N+](CC=C)(CC=C)CC2)CC1
InChIInChI=1S/C25H44N2/c1-5-16-26(17-6-2)20-12-24(13-21-26)10-9-11-25-14-22-27(18-7-3,19-8-4)23-15-25/h5-8,24-25H,1-4,9-23H2/q+2
InChIKeyGHCRXMXOJYAUMY-UHFFFAOYSA-N
MW372.64 g/mol
LogP5.35
Rot. Bonds12

About 4-[3-[1,1-bis(prop-2-enyl)piperidin-1-ium-4-yl]propyl]-1,1-bis(prop-2-enyl)piperidin-1-ium

4-[3-[1,1-bis(prop-2-enyl)piperidin-1-ium-4-yl]propyl]-1,1-bis(prop-2-enyl)piperidin-1-ium (PubChem CID 59110842) has the molecular formula C25H44N2+2 and a molecular weight of 372.64 g/mol. Its IUPAC name is 4-[3-[1,1-bis(prop-2-enyl)piperidin-1-ium-4-yl]propyl]-1,1-bis(prop-2-enyl)piperidin-1-ium.

Molecular Properties

Compound Name4-[3-[1,1-bis(prop-2-enyl)piperidin-1-ium-4-yl]propyl]-1,1-bis(prop-2-enyl)piperidin-1-ium
PubChem CID59110842
Molecular FormulaC25H44N2+2
Molecular Weight372.64 g/mol
Exact Mass372.35
IUPAC Name4-[3-[1,1-bis(prop-2-enyl)piperidin-1-ium-4-yl]propyl]-1,1-bis(prop-2-enyl)piperidin-1-ium
SMILESC=CC[N+]1(CC=C)CCC(CCCC2CC[N+](CC=C)(CC=C)CC2)CC1
InChIInChI=1S/C25H44N2/c1-5-16-26(17-6-2)20-12-24(13-21-26)10-9-11-25-14-22-27(18-7-3,19-8-4)23-15-25/h5-8,24-25H,1-4,9-23H2/q+2
InChIKeyGHCRXMXOJYAUMY-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 55.35
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'}

Analyze 4-[3-[1,1-bis(prop-2-enyl)piperidin-1-ium-4-yl]propyl]-1,1-bis(prop-2-enyl)piperidin-1-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1,1-bis(prop-2-enyl)piperidin-1-ium-4-yl]propyl]-1,1-bis(prop-2-enyl)piperidin-1-ium?
The IUPAC name of 4-[3-[1,1-bis(prop-2-enyl)piperidin-1-ium-4-yl]propyl]-1,1-bis(prop-2-enyl)piperidin-1-ium (CID 59110842) is 4-[3-[1,1-bis(prop-2-enyl)piperidin-1-ium-4-yl]propyl]-1,1-bis(prop-2-enyl)piperidin-1-ium.
What is the SMILES notation for 4-[3-[1,1-bis(prop-2-enyl)piperidin-1-ium-4-yl]propyl]-1,1-bis(prop-2-enyl)piperidin-1-ium?
The canonical SMILES for 4-[3-[1,1-bis(prop-2-enyl)piperidin-1-ium-4-yl]propyl]-1,1-bis(prop-2-enyl)piperidin-1-ium is C=CC[N+]1(CC=C)CCC(CCCC2CC[N+](CC=C)(CC=C)CC2)CC1.
What is the InChIKey of 4-[3-[1,1-bis(prop-2-enyl)piperidin-1-ium-4-yl]propyl]-1,1-bis(prop-2-enyl)piperidin-1-ium?
The InChIKey is GHCRXMXOJYAUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2/c1-5-16-26(17-6-2)20-12-24(13-21-26)10-9-11-25-14-22-27(18-7-3,19-8-4)23-15-25/h5-8,24-25H,1-4,9-23H2/q+2.
What are the key properties of 4-[3-[1,1-bis(prop-2-enyl)piperidin-1-ium-4-yl]propyl]-1,1-bis(prop-2-enyl)piperidin-1-ium?
4-[3-[1,1-bis(prop-2-enyl)piperidin-1-ium-4-yl]propyl]-1,1-bis(prop-2-enyl)piperidin-1-ium has a molecular weight of 372.64 g/mol, XLogP of 5.35, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1,1-bis(prop-2-enyl)piperidin-1-ium-4-yl]propyl]-1,1-bis(prop-2-enyl)piperidin-1-ium is sourced from PubChem (CID 59110842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).