(3R,4R)-3-fluoro-1,4-dimethylpiperidin-1-ium iodide

C7H15FIN — CID 170022117

IUPAC(3R,4R)-3-fluoro-1,4-dimethylpiperidin-1-ium iodide
SMILESC[C@@H]1CC[NH+](C)C[C@@H]1F.[I-]
InChIInChI=1S/C7H14FN.HI/c1-6-3-4-9(2)5-7(6)8;/h6-7H,3-5H2,1-2H3;1H/t6-,7+;/m1./s1
InChIKeyRNHNMTZWLMGOAW-HHQFNNIRSA-N
MW259.11 g/mol
LogP-3.12
Rot. Bonds

About (3R,4R)-3-fluoro-1,4-dimethylpiperidin-1-ium iodide

(3R,4R)-3-fluoro-1,4-dimethylpiperidin-1-ium iodide (PubChem CID 170022117) has the molecular formula C7H15FIN and a molecular weight of 259.11 g/mol. Its IUPAC name is (3R,4R)-3-fluoro-1,4-dimethylpiperidin-1-ium iodide.

Molecular Properties

Compound Name(3R,4R)-3-fluoro-1,4-dimethylpiperidin-1-ium iodide
PubChem CID170022117
Molecular FormulaC7H15FIN
Molecular Weight259.11 g/mol
Exact Mass259.02
IUPAC Name(3R,4R)-3-fluoro-1,4-dimethylpiperidin-1-ium iodide
SMILESC[C@@H]1CC[NH+](C)C[C@@H]1F.[I-]
InChIInChI=1S/C7H14FN.HI/c1-6-3-4-9(2)5-7(6)8;/h6-7H,3-5H2,1-2H3;1H/t6-,7+;/m1./s1
InChIKeyRNHNMTZWLMGOAW-HHQFNNIRSA-N
XLogP-3.12
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 5-3.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-fluoro-2-methylcyclobutane
CID 149484221
2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium
CID 154339362
cis-(1S,2R)-1-fluoro-2,3-dimethylcyclopentane
CID 126671051
1,5-difluoro-2-methylcycloheptane
CID 138653554
trans-(3S,4S)-1,3-difluoro-2,4-dimethylcyclohexane
CID 134441969
(1S,2R,3R)-1-fluoro-2,3-dimethylcyclohexane
CID 155257148
(1R)-1,3-difluoro-2-methylcyclohexane
CID 134531645
(3S,4S)-3-fluoro-4-methyloxane;molecular hydrogen
CID 177003690
[(3R)-1-methylpiperidin-1-ium-3-yl]azanium
CID 7446916
(1-methylpiperidin-1-ium-4-yl)azanium
CID 6991936
(4aS,6R,8aR)-6-bromo-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium
CID 7164444
1,2-dimethylaziridin-1-ium
CID 59383272

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-fluoro-1,4-dimethylpiperidin-1-ium iodide?
The IUPAC name of (3R,4R)-3-fluoro-1,4-dimethylpiperidin-1-ium iodide (CID 170022117) is (3R,4R)-3-fluoro-1,4-dimethylpiperidin-1-ium iodide.
What is the SMILES notation for (3R,4R)-3-fluoro-1,4-dimethylpiperidin-1-ium iodide?
The canonical SMILES for (3R,4R)-3-fluoro-1,4-dimethylpiperidin-1-ium iodide is C[C@@H]1CC[NH+](C)C[C@@H]1F.[I-].
What is the InChIKey of (3R,4R)-3-fluoro-1,4-dimethylpiperidin-1-ium iodide?
The InChIKey is RNHNMTZWLMGOAW-HHQFNNIRSA-N. The full InChI is InChI=1S/C7H14FN.HI/c1-6-3-4-9(2)5-7(6)8;/h6-7H,3-5H2,1-2H3;1H/t6-,7+;/m1./s1.
What are the key properties of (3R,4R)-3-fluoro-1,4-dimethylpiperidin-1-ium iodide?
(3R,4R)-3-fluoro-1,4-dimethylpiperidin-1-ium iodide has a molecular weight of 259.11 g/mol, XLogP of -3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-fluoro-1,4-dimethylpiperidin-1-ium iodide is sourced from PubChem (CID 170022117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).