1-(2-iodoacetyl)piperidine-4-carbonyl chloride

C8H11ClINO2 — CID 87812210

IUPAC1-(2-iodoacetyl)piperidine-4-carbonyl chloride
SMILESO=C(Cl)C1CCN(C(=O)CI)CC1
InChIInChI=1S/C8H11ClINO2/c9-8(13)6-1-3-11(4-2-6)7(12)5-10/h6H,1-5H2
InChIKeyDCZAGOXDQNRLSQ-UHFFFAOYSA-N
MW315.54 g/mol
LogP1.43
Rot. Bonds2

About 1-(2-iodoacetyl)piperidine-4-carbonyl chloride

1-(2-iodoacetyl)piperidine-4-carbonyl chloride (PubChem CID 87812210) has the molecular formula C8H11ClINO2 and a molecular weight of 315.54 g/mol. Its IUPAC name is 1-(2-iodoacetyl)piperidine-4-carbonyl chloride.

Molecular Properties

Compound Name1-(2-iodoacetyl)piperidine-4-carbonyl chloride
PubChem CID87812210
Molecular FormulaC8H11ClINO2
Molecular Weight315.54 g/mol
Exact Mass314.95
IUPAC Name1-(2-iodoacetyl)piperidine-4-carbonyl chloride
SMILESO=C(Cl)C1CCN(C(=O)CI)CC1
InChIInChI=1S/C8H11ClINO2/c9-8(13)6-1-3-11(4-2-6)7(12)5-10/h6H,1-5H2
InChIKeyDCZAGOXDQNRLSQ-UHFFFAOYSA-N
XLogP1.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.54
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-Acetylpiperidine-4-carbonyl chloride
CID 100950
1-Formylpiperidine-4-carbonyl chloride
CID 13224256
1-(Trifluoroacetyl)piperidine-4-carbonyl chloride
CID 11085989
1-(2-Fluoroacetyl)piperidine-4-carbonyl chloride
CID 58282561
Ethane;1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl chloride
CID 90818476
1-(3,3,3-Trifluoropropanoyl)piperidine-4-carbonyl chloride
CID 130287985
Piperidine-1,4-dicarbonyl chloride
CID 13548158
1-Acetyl-4-piperidineacetyl chloride
CID 20288065
1-Acetylpiperidine-4-carbonyl chloride hydrochloride
CID 53430810
1-Methyl-2-oxopiperidine-4-carbonyl chloride
CID 91691062
1-Acetyl-4-methylpiperidine-4-carbonyl chloride
CID 150608884
1-Propanoylpiperidine-4-carbonyl chloride
CID 24263539

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodoacetyl)piperidine-4-carbonyl chloride?
The IUPAC name of 1-(2-iodoacetyl)piperidine-4-carbonyl chloride (CID 87812210) is 1-(2-iodoacetyl)piperidine-4-carbonyl chloride.
What is the SMILES notation for 1-(2-iodoacetyl)piperidine-4-carbonyl chloride?
The canonical SMILES for 1-(2-iodoacetyl)piperidine-4-carbonyl chloride is O=C(Cl)C1CCN(C(=O)CI)CC1.
What is the InChIKey of 1-(2-iodoacetyl)piperidine-4-carbonyl chloride?
The InChIKey is DCZAGOXDQNRLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClINO2/c9-8(13)6-1-3-11(4-2-6)7(12)5-10/h6H,1-5H2.
What are the key properties of 1-(2-iodoacetyl)piperidine-4-carbonyl chloride?
1-(2-iodoacetyl)piperidine-4-carbonyl chloride has a molecular weight of 315.54 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodoacetyl)piperidine-4-carbonyl chloride is sourced from PubChem (CID 87812210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).