1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine perchlorate

C13H23ClN2O4 — CID 71356625

IUPAC1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine perchlorate
SMILESC(=CN1CCCCC1)C=[N+]1CCCCC1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C13H23N2.ClHO4/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;2-1(3,4)5/h7,12-13H,1-6,8-11H2;(H,2,3,4,5)/q+1;/p-1
InChIKeyYREIUWSNXMUROJ-UHFFFAOYSA-M
MW306.79 g/mol
LogP-2.50
Rot. Bonds2

About 1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine perchlorate

1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine perchlorate (PubChem CID 71356625) has the molecular formula C13H23ClN2O4 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine perchlorate.

Molecular Properties

Compound Name1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine perchlorate
PubChem CID71356625
Molecular FormulaC13H23ClN2O4
Molecular Weight306.79 g/mol
Exact Mass306.13
IUPAC Name1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine perchlorate
SMILESC(=CN1CCCCC1)C=[N+]1CCCCC1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C13H23N2.ClHO4/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;2-1(3,4)5/h7,12-13H,1-6,8-11H2;(H,2,3,4,5)/q+1;/p-1
InChIKeyYREIUWSNXMUROJ-UHFFFAOYSA-M
XLogP-2.50
TPSA98.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 5-2.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine perchlorate?
The IUPAC name of 1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine perchlorate (CID 71356625) is 1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine perchlorate.
What is the SMILES notation for 1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine perchlorate?
The canonical SMILES for 1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine perchlorate is C(=CN1CCCCC1)C=[N+]1CCCCC1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine perchlorate?
The InChIKey is YREIUWSNXMUROJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H23N2.ClHO4/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;2-1(3,4)5/h7,12-13H,1-6,8-11H2;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine perchlorate?
1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine perchlorate has a molecular weight of 306.79 g/mol, XLogP of -2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine perchlorate is sourced from PubChem (CID 71356625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).