1-(4-chlorobut-2-enyl)-2,6-dimethylpiperidine

C11H20ClN — CID 77051843

IUPAC1-(4-chlorobut-2-enyl)-2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1CC=CCCl
InChIInChI=1S/C11H20ClN/c1-10-6-5-7-11(2)13(10)9-4-3-8-12/h3-4,10-11H,5-9H2,1-2H3
InChIKeyBPGNBPPQALYJQG-UHFFFAOYSA-N
MW201.74 g/mol
LogP3.04
Rot. Bonds3

About 1-(4-chlorobut-2-enyl)-2,6-dimethylpiperidine

1-(4-chlorobut-2-enyl)-2,6-dimethylpiperidine (PubChem CID 77051843) has the molecular formula C11H20ClN and a molecular weight of 201.74 g/mol. Its IUPAC name is 1-(4-chlorobut-2-enyl)-2,6-dimethylpiperidine.

Molecular Properties

Compound Name1-(4-chlorobut-2-enyl)-2,6-dimethylpiperidine
PubChem CID77051843
Molecular FormulaC11H20ClN
Molecular Weight201.74 g/mol
Exact Mass201.13
IUPAC Name1-(4-chlorobut-2-enyl)-2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1CC=CCCl
InChIInChI=1S/C11H20ClN/c1-10-6-5-7-11(2)13(10)9-4-3-8-12/h3-4,10-11H,5-9H2,1-2H3
InChIKeyBPGNBPPQALYJQG-UHFFFAOYSA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.74
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobut-2-enyl)-2,6-dimethylpiperidine?
The IUPAC name of 1-(4-chlorobut-2-enyl)-2,6-dimethylpiperidine (CID 77051843) is 1-(4-chlorobut-2-enyl)-2,6-dimethylpiperidine.
What is the SMILES notation for 1-(4-chlorobut-2-enyl)-2,6-dimethylpiperidine?
The canonical SMILES for 1-(4-chlorobut-2-enyl)-2,6-dimethylpiperidine is CC1CCCC(C)N1CC=CCCl.
What is the InChIKey of 1-(4-chlorobut-2-enyl)-2,6-dimethylpiperidine?
The InChIKey is BPGNBPPQALYJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN/c1-10-6-5-7-11(2)13(10)9-4-3-8-12/h3-4,10-11H,5-9H2,1-2H3.
What are the key properties of 1-(4-chlorobut-2-enyl)-2,6-dimethylpiperidine?
1-(4-chlorobut-2-enyl)-2,6-dimethylpiperidine has a molecular weight of 201.74 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobut-2-enyl)-2,6-dimethylpiperidine is sourced from PubChem (CID 77051843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).