1-cyclohexyl-1-methylpiperidin-1-ium-3-carbaldehyde

C13H24NO+ — CID 154518594

IUPAC1-cyclohexyl-1-methylpiperidin-1-ium-3-carbaldehyde
SMILESC[N+]1(C2CCCCC2)CCCC(C=O)C1
InChIInChI=1S/C13H24NO/c1-14(13-7-3-2-4-8-13)9-5-6-12(10-14)11-15/h11-13H,2-10H2,1H3/q+1
InChIKeyCFDVBCYKGUHKNW-UHFFFAOYSA-N
MW210.34 g/mol
LogP2.37
Rot. Bonds2

About 1-cyclohexyl-1-methylpiperidin-1-ium-3-carbaldehyde

1-cyclohexyl-1-methylpiperidin-1-ium-3-carbaldehyde (PubChem CID 154518594) has the molecular formula C13H24NO+ and a molecular weight of 210.34 g/mol. Its IUPAC name is 1-cyclohexyl-1-methylpiperidin-1-ium-3-carbaldehyde.

Molecular Properties

Compound Name1-cyclohexyl-1-methylpiperidin-1-ium-3-carbaldehyde
PubChem CID154518594
Molecular FormulaC13H24NO+
Molecular Weight210.34 g/mol
Exact Mass210.19
IUPAC Name1-cyclohexyl-1-methylpiperidin-1-ium-3-carbaldehyde
SMILESC[N+]1(C2CCCCC2)CCCC(C=O)C1
InChIInChI=1S/C13H24NO/c1-14(13-7-3-2-4-8-13)9-5-6-12(10-14)11-15/h11-13H,2-10H2,1H3/q+1
InChIKeyCFDVBCYKGUHKNW-UHFFFAOYSA-N
XLogP2.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclodecyl-1-methylpyrrolidin-1-ium
CID 20725318
cyclodecanecarbaldehyde
CID 13240747
cyclooctane-1,4-dicarbaldehyde
CID 19884381
cyclopentadecane-1,5-dicarbaldehyde
CID 135390185
cyclohexanecarbaldehyde;ethane;methanol
CID 144911027
1-cyclopentyl-1-methylpyrrolidin-1-ium iodide
CID 118976632
carbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+)
CID 91654218
cyclooctane-1,5-dicarbaldehyde
CID 18542113
carbanide;cyclopentane;cyclopentanecarbaldehyde;ethane;ruthenium(2+)
CID 162292523
benzene;cyclohexanecarbaldehyde
CID 174845063
cyclohexanecarbaldehyde;fluoroform
CID 156741172
cyclobutanecarbaldehyde;ethane;N-methylmethanamine
CID 142148678

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methylpiperidin-1-ium-3-carbaldehyde?
The IUPAC name of 1-cyclohexyl-1-methylpiperidin-1-ium-3-carbaldehyde (CID 154518594) is 1-cyclohexyl-1-methylpiperidin-1-ium-3-carbaldehyde.
What is the SMILES notation for 1-cyclohexyl-1-methylpiperidin-1-ium-3-carbaldehyde?
The canonical SMILES for 1-cyclohexyl-1-methylpiperidin-1-ium-3-carbaldehyde is C[N+]1(C2CCCCC2)CCCC(C=O)C1.
What is the InChIKey of 1-cyclohexyl-1-methylpiperidin-1-ium-3-carbaldehyde?
The InChIKey is CFDVBCYKGUHKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24NO/c1-14(13-7-3-2-4-8-13)9-5-6-12(10-14)11-15/h11-13H,2-10H2,1H3/q+1.
What are the key properties of 1-cyclohexyl-1-methylpiperidin-1-ium-3-carbaldehyde?
1-cyclohexyl-1-methylpiperidin-1-ium-3-carbaldehyde has a molecular weight of 210.34 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methylpiperidin-1-ium-3-carbaldehyde is sourced from PubChem (CID 154518594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).