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

C9H18ClF2N — CID 163333329

IUPAC4,4-difluoro-2,2,6,6-tetramethylpiperidine;hydrochloride
SMILESCC1(C)CC(F)(F)CC(C)(C)N1.Cl
InChIInChI=1S/C9H17F2N.ClH/c1-7(2)5-9(10,11)6-8(3,4)12-7;/h12H,5-6H2,1-4H3;1H
InChIKeyWYASDIDPJUIKDV-UHFFFAOYSA-N
MW213.70 g/mol
LogP2.98
Rot. Bonds

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

4,4-difluoro-2,2,6,6-tetramethylpiperidine;hydrochloride (PubChem CID 163333329) has the molecular formula C9H18ClF2N and a molecular weight of 213.70 g/mol. Its IUPAC name is 4,4-difluoro-2,2,6,6-tetramethylpiperidine;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-2,2,6,6-tetramethylpiperidine;hydrochloride
PubChem CID163333329
Molecular FormulaC9H18ClF2N
Molecular Weight213.70 g/mol
Exact Mass213.11
IUPAC Name4,4-difluoro-2,2,6,6-tetramethylpiperidine;hydrochloride
SMILESCC1(C)CC(F)(F)CC(C)(C)N1.Cl
InChIInChI=1S/C9H17F2N.ClH/c1-7(2)5-9(10,11)6-8(3,4)12-7;/h12H,5-6H2,1-4H3;1H
InChIKeyWYASDIDPJUIKDV-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.70
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,6,6-Tetramethylpiperidine
CID 13035
Piperidine, 2,2,6,6-tetramethyl-, hydrobromide
CID 120464
Piperidine, 2,2,6,6-tetramethyl-, hydrochloride (1:1)
CID 120465
2,2,6,6-Tetramethylpiperidine--hydrogen iodide (1/1)
CID 120466
piperidine, 2,2,6,6-tetramethyl-, lithium salt
CID 57419888
2,2,6,6-Tetramethyl-1-(trifluoromethyl)piperidine
CID 15105668
2,2,6,6-Tetramethylpiperidin-1-ium
CID 1550918
2,2,6,6-Tetramethylpiperidinium chloride
CID 66868076
2,2,6-Trimethyl-6-methylpiperidine
CID 138980471
4-Fluoro-2,2,6,6-tetramethylpiperidine
CID 153803895
(3S,4S)-3-fluoro-2,2,4,6,6-pentamethylpiperidine
CID 167449899
(3R,4R)-3-fluoro-2,2,4,6,6-pentamethylpiperidine
CID 167449901

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2,2,6,6-tetramethylpiperidine;hydrochloride?
The IUPAC name of 4,4-difluoro-2,2,6,6-tetramethylpiperidine;hydrochloride (CID 163333329) is 4,4-difluoro-2,2,6,6-tetramethylpiperidine;hydrochloride.
What is the SMILES notation for 4,4-difluoro-2,2,6,6-tetramethylpiperidine;hydrochloride?
The canonical SMILES for 4,4-difluoro-2,2,6,6-tetramethylpiperidine;hydrochloride is CC1(C)CC(F)(F)CC(C)(C)N1.Cl.
What is the InChIKey of 4,4-difluoro-2,2,6,6-tetramethylpiperidine;hydrochloride?
The InChIKey is WYASDIDPJUIKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N.ClH/c1-7(2)5-9(10,11)6-8(3,4)12-7;/h12H,5-6H2,1-4H3;1H.
What are the key properties of 4,4-difluoro-2,2,6,6-tetramethylpiperidine;hydrochloride?
4,4-difluoro-2,2,6,6-tetramethylpiperidine;hydrochloride has a molecular weight of 213.70 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2,2,6,6-tetramethylpiperidine;hydrochloride is sourced from PubChem (CID 163333329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).