4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde

C9H13N3O — CID 142698027

IUPAC4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(c2cnc[nH]2)CC1
InChIInChI=1S/C9H13N3O/c13-7-12-3-1-8(2-4-12)9-5-10-6-11-9/h5-8H,1-4H2,(H,10,11)
InChIKeyUKOFTIJTACPRTO-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.75
Rot. Bonds2

About 4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde

4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde (PubChem CID 142698027) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde
PubChem CID142698027
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(c2cnc[nH]2)CC1
InChIInChI=1S/C9H13N3O/c13-7-12-3-1-8(2-4-12)9-5-10-6-11-9/h5-8H,1-4H2,(H,10,11)
InChIKeyUKOFTIJTACPRTO-UHFFFAOYSA-N
XLogP0.75
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanimine
CID 10659804
1-butan-2-yl-4-(1H-imidazol-5-yl)piperidine
CID 167991940
4-(1H-imidazol-5-yl)-1-(2-nitrophenyl)piperidine
CID 71098478
1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120848543
3-cyclopentyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one
CID 19097445
3-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]-1,4-dihydropyrazol-5-one
CID 154863873
N-benzyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide
CID 10685638
3-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylaniline
CID 164898456
N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide;methane
CID 172873053
2-(1H-imidazol-5-yl)cyclopropane-1-carbaldehyde
CID 19593166
5-pyrrolidin-3-yl-1H-imidazole;dihydrochloride
CID 75485523
4-(1H-imidazol-5-yl)-N-methyl-N-(4-methylsulfonylphenyl)piperidine-1-carboxamide
CID 100641520

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde?
The IUPAC name of 4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde (CID 142698027) is 4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde?
The canonical SMILES for 4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde is O=CN1CCC(c2cnc[nH]2)CC1.
What is the InChIKey of 4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde?
The InChIKey is UKOFTIJTACPRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-7-12-3-1-8(2-4-12)9-5-10-6-11-9/h5-8H,1-4H2,(H,10,11).
What are the key properties of 4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde?
4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde has a molecular weight of 179.22 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde is sourced from PubChem (CID 142698027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).