2-chloropiperidine-1-carbonyl chloride

C6H9Cl2NO — CID 163909787

IUPAC2-chloropiperidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCCCC1Cl
InChIInChI=1S/C6H9Cl2NO/c7-5-3-1-2-4-9(5)6(8)10/h5H,1-4H2
InChIKeyQRCBIWGFECWHBE-UHFFFAOYSA-N
MW182.05 g/mol
LogP2.40
Rot. Bonds

About 2-chloropiperidine-1-carbonyl chloride

2-chloropiperidine-1-carbonyl chloride (PubChem CID 163909787) has the molecular formula C6H9Cl2NO and a molecular weight of 182.05 g/mol. Its IUPAC name is 2-chloropiperidine-1-carbonyl chloride.

Molecular Properties

Compound Name2-chloropiperidine-1-carbonyl chloride
PubChem CID163909787
Molecular FormulaC6H9Cl2NO
Molecular Weight182.05 g/mol
Exact Mass181.01
IUPAC Name2-chloropiperidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCCCC1Cl
InChIInChI=1S/C6H9Cl2NO/c7-5-3-1-2-4-9(5)6(8)10/h5H,1-4H2
InChIKeyQRCBIWGFECWHBE-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
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'}

Analyze 2-chloropiperidine-1-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-methylpiperidine-1-carbonyl chloride
CID 45081356
2,3-dimethylpiperidine-1-carbonyl chloride
CID 79886901
(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl chloride
CID 93494912
2-(hydroxycarbamoyl)piperidine-1-carboxylic acid
CID 54289954
1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
1-methylazepane-2-carbonyl chloride
CID 88548044
1-acetylpiperidine-2-carboxylic acid;ethane
CID 144674830
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
2-nitrosoazepane-1-carboxylic acid
CID 123937966
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695

Frequently Asked Questions

What is the IUPAC name of 2-chloropiperidine-1-carbonyl chloride?
The IUPAC name of 2-chloropiperidine-1-carbonyl chloride (CID 163909787) is 2-chloropiperidine-1-carbonyl chloride.
What is the SMILES notation for 2-chloropiperidine-1-carbonyl chloride?
The canonical SMILES for 2-chloropiperidine-1-carbonyl chloride is O=C(Cl)N1CCCCC1Cl.
What is the InChIKey of 2-chloropiperidine-1-carbonyl chloride?
The InChIKey is QRCBIWGFECWHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl2NO/c7-5-3-1-2-4-9(5)6(8)10/h5H,1-4H2.
What are the key properties of 2-chloropiperidine-1-carbonyl chloride?
2-chloropiperidine-1-carbonyl chloride has a molecular weight of 182.05 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropiperidine-1-carbonyl chloride is sourced from PubChem (CID 163909787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).