1-formylpiperidine-4-carbonyl chloride

C7H10ClNO2 — CID 13224256

IUPAC1-formylpiperidine-4-carbonyl chloride
SMILESO=CN1CCC(C(=O)Cl)CC1
InChIInChI=1S/C7H10ClNO2/c8-7(11)6-1-3-9(5-10)4-2-6/h5-6H,1-4H2
InChIKeyXGFKZJZVLQPJKL-UHFFFAOYSA-N
MW175.61 g/mol
LogP0.62
Rot. Bonds2

About 1-formylpiperidine-4-carbonyl chloride

1-formylpiperidine-4-carbonyl chloride (PubChem CID 13224256) has the molecular formula C7H10ClNO2 and a molecular weight of 175.61 g/mol. Its IUPAC name is 1-formylpiperidine-4-carbonyl chloride.

Molecular Properties

Compound Name1-formylpiperidine-4-carbonyl chloride
PubChem CID13224256
Molecular FormulaC7H10ClNO2
Molecular Weight175.61 g/mol
Exact Mass175.04
IUPAC Name1-formylpiperidine-4-carbonyl chloride
SMILESO=CN1CCC(C(=O)Cl)CC1
InChIInChI=1S/C7H10ClNO2/c8-7(11)6-1-3-9(5-10)4-2-6/h5-6H,1-4H2
InChIKeyXGFKZJZVLQPJKL-UHFFFAOYSA-N
XLogP0.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.61
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-formylpiperidine-4-carbonyl chloride?
The IUPAC name of 1-formylpiperidine-4-carbonyl chloride (CID 13224256) is 1-formylpiperidine-4-carbonyl chloride.
What is the SMILES notation for 1-formylpiperidine-4-carbonyl chloride?
The canonical SMILES for 1-formylpiperidine-4-carbonyl chloride is O=CN1CCC(C(=O)Cl)CC1.
What is the InChIKey of 1-formylpiperidine-4-carbonyl chloride?
The InChIKey is XGFKZJZVLQPJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO2/c8-7(11)6-1-3-9(5-10)4-2-6/h5-6H,1-4H2.
What are the key properties of 1-formylpiperidine-4-carbonyl chloride?
1-formylpiperidine-4-carbonyl chloride has a molecular weight of 175.61 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formylpiperidine-4-carbonyl chloride is sourced from PubChem (CID 13224256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).