piperidine;piperidine-1-carbonyl chloride

C11H21ClN2O — CID 158287710

IUPACpiperidine;piperidine-1-carbonyl chloride
SMILESC1CCNCC1.O=C(Cl)N1CCCCC1
InChIInChI=1S/C6H10ClNO.C5H11N/c7-6(9)8-4-2-1-3-5-8;1-2-4-6-5-3-1/h1-5H2;6H,1-5H2
InChIKeyGKZFTXXQQICJLF-UHFFFAOYSA-N
MW232.75 g/mol
LogP2.59
Rot. Bonds

About piperidine;piperidine-1-carbonyl chloride

piperidine;piperidine-1-carbonyl chloride (PubChem CID 158287710) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is piperidine;piperidine-1-carbonyl chloride.

Molecular Properties

Compound Namepiperidine;piperidine-1-carbonyl chloride
PubChem CID158287710
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Namepiperidine;piperidine-1-carbonyl chloride
SMILESC1CCNCC1.O=C(Cl)N1CCCCC1
InChIInChI=1S/C6H10ClNO.C5H11N/c7-6(9)8-4-2-1-3-5-8;1-2-4-6-5-3-1/h1-5H2;6H,1-5H2
InChIKeyGKZFTXXQQICJLF-UHFFFAOYSA-N
XLogP2.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_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 piperidine;piperidine-1-carbonyl chloride?
The IUPAC name of piperidine;piperidine-1-carbonyl chloride (CID 158287710) is piperidine;piperidine-1-carbonyl chloride.
What is the SMILES notation for piperidine;piperidine-1-carbonyl chloride?
The canonical SMILES for piperidine;piperidine-1-carbonyl chloride is C1CCNCC1.O=C(Cl)N1CCCCC1.
What is the InChIKey of piperidine;piperidine-1-carbonyl chloride?
The InChIKey is GKZFTXXQQICJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO.C5H11N/c7-6(9)8-4-2-1-3-5-8;1-2-4-6-5-3-1/h1-5H2;6H,1-5H2.
What are the key properties of piperidine;piperidine-1-carbonyl chloride?
piperidine;piperidine-1-carbonyl chloride has a molecular weight of 232.75 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;piperidine-1-carbonyl chloride is sourced from PubChem (CID 158287710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).