4-chloro-2,2,6,6-tetramethylpiperidine;hydrochloride

C9H19Cl2N — CID 2780400

IUPAC4-chloro-2,2,6,6-tetramethylpiperidine;hydrochloride
SMILESCC1(C)CC(Cl)CC(C)(C)N1.Cl
InChIInChI=1S/C9H18ClN.ClH/c1-8(2)5-7(10)6-9(3,4)11-8;/h7,11H,5-6H2,1-4H3;1H
InChIKeyMCYPZCNAVBMNQB-UHFFFAOYSA-N
MW212.16 g/mol
LogP2.96
Rot. Bonds

About 4-chloro-2,2,6,6-tetramethylpiperidine;hydrochloride

4-chloro-2,2,6,6-tetramethylpiperidine;hydrochloride (PubChem CID 2780400) has the molecular formula C9H19Cl2N and a molecular weight of 212.16 g/mol. Its IUPAC name is 4-chloro-2,2,6,6-tetramethylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-chloro-2,2,6,6-tetramethylpiperidine;hydrochloride
PubChem CID2780400
Molecular FormulaC9H19Cl2N
Molecular Weight212.16 g/mol
Exact Mass211.09
IUPAC Name4-chloro-2,2,6,6-tetramethylpiperidine;hydrochloride
SMILESCC1(C)CC(Cl)CC(C)(C)N1.Cl
InChIInChI=1S/C9H18ClN.ClH/c1-8(2)5-7(10)6-9(3,4)11-8;/h7,11H,5-6H2,1-4H3;1H
InChIKeyMCYPZCNAVBMNQB-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,2,6,6-tetramethylpiperidine;hydrochloride?
The IUPAC name of 4-chloro-2,2,6,6-tetramethylpiperidine;hydrochloride (CID 2780400) is 4-chloro-2,2,6,6-tetramethylpiperidine;hydrochloride.
What is the SMILES notation for 4-chloro-2,2,6,6-tetramethylpiperidine;hydrochloride?
The canonical SMILES for 4-chloro-2,2,6,6-tetramethylpiperidine;hydrochloride is CC1(C)CC(Cl)CC(C)(C)N1.Cl.
What is the InChIKey of 4-chloro-2,2,6,6-tetramethylpiperidine;hydrochloride?
The InChIKey is MCYPZCNAVBMNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN.ClH/c1-8(2)5-7(10)6-9(3,4)11-8;/h7,11H,5-6H2,1-4H3;1H.
What are the key properties of 4-chloro-2,2,6,6-tetramethylpiperidine;hydrochloride?
4-chloro-2,2,6,6-tetramethylpiperidine;hydrochloride has a molecular weight of 212.16 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,2,6,6-tetramethylpiperidine;hydrochloride is sourced from PubChem (CID 2780400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).