4-imidazol-1-ylpiperidine-1-carbaldehyde

C9H13N3O — CID 56980966

IUPAC4-imidazol-1-ylpiperidine-1-carbaldehyde
SMILESO=CN1CCC(n2ccnc2)CC1
InChIInChI=1S/C9H13N3O/c13-8-11-4-1-9(2-5-11)12-6-3-10-7-12/h3,6-9H,1-2,4-5H2
InChIKeyQZUDIDMJXVONDZ-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.68
Rot. Bonds2

About 4-imidazol-1-ylpiperidine-1-carbaldehyde

4-imidazol-1-ylpiperidine-1-carbaldehyde (PubChem CID 56980966) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-imidazol-1-ylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-imidazol-1-ylpiperidine-1-carbaldehyde
PubChem CID56980966
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-imidazol-1-ylpiperidine-1-carbaldehyde
SMILESO=CN1CCC(n2ccnc2)CC1
InChIInChI=1S/C9H13N3O/c13-8-11-4-1-9(2-5-11)12-6-3-10-7-12/h3,6-9H,1-2,4-5H2
InChIKeyQZUDIDMJXVONDZ-UHFFFAOYSA-N
XLogP0.68
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-imidazol-1-ylcyclohexan-1-amine
CID 62808161
2-(4-imidazol-1-ylpiperidin-1-yl)pyridine
CID 56788029
1-cyclopentylimidazole;ethane;methanol
CID 144877752
1-(2,2-dimethylpropyl)-4-imidazol-1-ylpiperidine
CID 58877698
4-imidazol-1-yl-1-methylpiperidine;4-imidazol-1-ylpiperidine
CID 161369180
4-imidazol-1-yl-1-(oxolan-3-yl)piperidine
CID 127447254
ethane;4-imidazol-1-ylpiperidine
CID 143122198
2-(4-imidazol-1-ylpiperidin-1-yl)pyrazine
CID 133301086
1-[(3S)-1-propan-2-ylpyrrolidin-3-yl]imidazole
CID 59927644
1-(4-ethylcyclohexyl)imidazole
CID 64776117
1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]imidazole
CID 126638711
1-(azetidin-3-yl)imidazole
CID 22007463

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-ylpiperidine-1-carbaldehyde?
The IUPAC name of 4-imidazol-1-ylpiperidine-1-carbaldehyde (CID 56980966) is 4-imidazol-1-ylpiperidine-1-carbaldehyde.
What is the SMILES notation for 4-imidazol-1-ylpiperidine-1-carbaldehyde?
The canonical SMILES for 4-imidazol-1-ylpiperidine-1-carbaldehyde is O=CN1CCC(n2ccnc2)CC1.
What is the InChIKey of 4-imidazol-1-ylpiperidine-1-carbaldehyde?
The InChIKey is QZUDIDMJXVONDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-8-11-4-1-9(2-5-11)12-6-3-10-7-12/h3,6-9H,1-2,4-5H2.
What are the key properties of 4-imidazol-1-ylpiperidine-1-carbaldehyde?
4-imidazol-1-ylpiperidine-1-carbaldehyde has a molecular weight of 179.22 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-ylpiperidine-1-carbaldehyde is sourced from PubChem (CID 56980966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).