1-(1H-imidazol-2-yl)piperidine-4-carbaldehyde;hydrochloride

C9H14ClN3O — CID 175797886

IUPAC1-(1H-imidazol-2-yl)piperidine-4-carbaldehyde;hydrochloride
SMILESCl.O=CC1CCN(c2ncc[nH]2)CC1
InChIInChI=1S/C9H13N3O.ClH/c13-7-8-1-5-12(6-2-8)9-10-3-4-11-9;/h3-4,7-8H,1-2,5-6H2,(H,10,11);1H
InChIKeyDXIMSRHWRVDZSW-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.25
Rot. Bonds2

About 1-(1H-imidazol-2-yl)piperidine-4-carbaldehyde;hydrochloride

1-(1H-imidazol-2-yl)piperidine-4-carbaldehyde;hydrochloride (PubChem CID 175797886) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)piperidine-4-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)piperidine-4-carbaldehyde;hydrochloride
PubChem CID175797886
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name1-(1H-imidazol-2-yl)piperidine-4-carbaldehyde;hydrochloride
SMILESCl.O=CC1CCN(c2ncc[nH]2)CC1
InChIInChI=1S/C9H13N3O.ClH/c13-7-8-1-5-12(6-2-8)9-10-3-4-11-9;/h3-4,7-8H,1-2,5-6H2,(H,10,11);1H
InChIKeyDXIMSRHWRVDZSW-UHFFFAOYSA-N
XLogP1.25
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-imidazol-2-yl)piperidin-4-ol
CID 130831688
1-[1-(1H-imidazol-2-yl)piperidin-4-yl]prop-2-en-1-ol
CID 173242348
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-imidazole
CID 131042977
7,16-bis(1H-imidazol-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 45278194
2-(3-propan-2-ylsulfanylpyrrolidin-1-yl)-1H-imidazole
CID 130920798
1-quinolin-4-ylpiperidine-4-carbaldehyde
CID 62663267
1-(3-methyl-2-pyridinyl)piperidine-4-carbaldehyde
CID 62663790
1-(2-chlorophenyl)piperidine-4-carbaldehyde
CID 143235350
1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-4-carbaldehyde
CID 103386359
1-(5,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde
CID 114477235
1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde
CID 65419285
2-(3,3-dimethylpyrrolidin-1-yl)-1H-imidazole
CID 131137791

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)piperidine-4-carbaldehyde;hydrochloride?
The IUPAC name of 1-(1H-imidazol-2-yl)piperidine-4-carbaldehyde;hydrochloride (CID 175797886) is 1-(1H-imidazol-2-yl)piperidine-4-carbaldehyde;hydrochloride.
What is the SMILES notation for 1-(1H-imidazol-2-yl)piperidine-4-carbaldehyde;hydrochloride?
The canonical SMILES for 1-(1H-imidazol-2-yl)piperidine-4-carbaldehyde;hydrochloride is Cl.O=CC1CCN(c2ncc[nH]2)CC1.
What is the InChIKey of 1-(1H-imidazol-2-yl)piperidine-4-carbaldehyde;hydrochloride?
The InChIKey is DXIMSRHWRVDZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.ClH/c13-7-8-1-5-12(6-2-8)9-10-3-4-11-9;/h3-4,7-8H,1-2,5-6H2,(H,10,11);1H.
What are the key properties of 1-(1H-imidazol-2-yl)piperidine-4-carbaldehyde;hydrochloride?
1-(1H-imidazol-2-yl)piperidine-4-carbaldehyde;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)piperidine-4-carbaldehyde;hydrochloride is sourced from PubChem (CID 175797886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).