4-chloropiperidine-1-carbonyl chloride

C6H9Cl2NO — CID 154147707

IUPAC4-chloropiperidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCC(Cl)CC1
InChIInChI=1S/C6H9Cl2NO/c7-5-1-3-9(4-2-5)6(8)10/h5H,1-4H2
InChIKeyFCIQNYDYSMNJRL-UHFFFAOYSA-N
MW182.05 g/mol
LogP2.05
Rot. Bonds

About 4-chloropiperidine-1-carbonyl chloride

4-chloropiperidine-1-carbonyl chloride (PubChem CID 154147707) has the molecular formula C6H9Cl2NO and a molecular weight of 182.05 g/mol. Its IUPAC name is 4-chloropiperidine-1-carbonyl chloride.

Molecular Properties

Compound Name4-chloropiperidine-1-carbonyl chloride
PubChem CID154147707
Molecular FormulaC6H9Cl2NO
Molecular Weight182.05 g/mol
Exact Mass181.01
IUPAC Name4-chloropiperidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCC(Cl)CC1
InChIInChI=1S/C6H9Cl2NO/c7-5-1-3-9(4-2-5)6(8)10/h5H,1-4H2
InChIKeyFCIQNYDYSMNJRL-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.05
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloropiperidine-1-carbonyl chloride?
The IUPAC name of 4-chloropiperidine-1-carbonyl chloride (CID 154147707) is 4-chloropiperidine-1-carbonyl chloride.
What is the SMILES notation for 4-chloropiperidine-1-carbonyl chloride?
The canonical SMILES for 4-chloropiperidine-1-carbonyl chloride is O=C(Cl)N1CCC(Cl)CC1.
What is the InChIKey of 4-chloropiperidine-1-carbonyl chloride?
The InChIKey is FCIQNYDYSMNJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl2NO/c7-5-1-3-9(4-2-5)6(8)10/h5H,1-4H2.
What are the key properties of 4-chloropiperidine-1-carbonyl chloride?
4-chloropiperidine-1-carbonyl chloride has a molecular weight of 182.05 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropiperidine-1-carbonyl chloride is sourced from PubChem (CID 154147707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).