1-(2-cyclohexylideneethylidene)piperidin-1-ium

C13H22N+ — CID 11097049

IUPAC1-(2-cyclohexylideneethylidene)piperidin-1-ium
SMILESC(C=[N+]1CCCCC1)=C1CCCCC1
InChIInChI=1S/C13H22N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h9,12H,1-8,10-11H2/q+1
InChIKeyPMRPEYZRVYMDAS-UHFFFAOYSA-N
MW192.33 g/mol
LogP3.14
Rot. Bonds1

About 1-(2-cyclohexylideneethylidene)piperidin-1-ium

1-(2-cyclohexylideneethylidene)piperidin-1-ium (PubChem CID 11097049) has the molecular formula C13H22N+ and a molecular weight of 192.33 g/mol. Its IUPAC name is 1-(2-cyclohexylideneethylidene)piperidin-1-ium.

Molecular Properties

Compound Name1-(2-cyclohexylideneethylidene)piperidin-1-ium
PubChem CID11097049
Molecular FormulaC13H22N+
Molecular Weight192.33 g/mol
Exact Mass192.17
IUPAC Name1-(2-cyclohexylideneethylidene)piperidin-1-ium
SMILESC(C=[N+]1CCCCC1)=C1CCCCC1
InChIInChI=1S/C13H22N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h9,12H,1-8,10-11H2/q+1
InChIKeyPMRPEYZRVYMDAS-UHFFFAOYSA-N
XLogP3.14
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-4-(1-methylpiperidin-4-yl)but-2-en-1-imine
CID 123885206
4-(1-Methylpiperidin-4-yl)-2,3-dihydropyridine
CID 146641297
1-[(E)-hex-2-enylidene]piperidin-1-ium
CID 101234498

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylideneethylidene)piperidin-1-ium?
The IUPAC name of 1-(2-cyclohexylideneethylidene)piperidin-1-ium (CID 11097049) is 1-(2-cyclohexylideneethylidene)piperidin-1-ium.
What is the SMILES notation for 1-(2-cyclohexylideneethylidene)piperidin-1-ium?
The canonical SMILES for 1-(2-cyclohexylideneethylidene)piperidin-1-ium is C(C=[N+]1CCCCC1)=C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylideneethylidene)piperidin-1-ium?
The InChIKey is PMRPEYZRVYMDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h9,12H,1-8,10-11H2/q+1.
What are the key properties of 1-(2-cyclohexylideneethylidene)piperidin-1-ium?
1-(2-cyclohexylideneethylidene)piperidin-1-ium has a molecular weight of 192.33 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylideneethylidene)piperidin-1-ium is sourced from PubChem (CID 11097049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).