N-(4-fluoro-2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide iodide

C15H22FIN2O — CID 126564384

IUPACN-(4-fluoro-2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide iodide
SMILESCc1cc(F)cc(C)c1NC(=O)C1CCCC[NH+]1C.[I-]
InChIInChI=1S/C15H21FN2O.HI/c1-10-8-12(16)9-11(2)14(10)17-15(19)13-6-4-5-7-18(13)3;/h8-9,13H,4-7H2,1-3H3,(H,17,19);1H
InChIKeyQJZLRDUUGIHRRP-UHFFFAOYSA-N
MW392.26 g/mol
LogP-1.55
Rot. Bonds2

About N-(4-fluoro-2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide iodide

N-(4-fluoro-2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide iodide (PubChem CID 126564384) has the molecular formula C15H22FIN2O and a molecular weight of 392.26 g/mol. Its IUPAC name is N-(4-fluoro-2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide iodide.

Molecular Properties

Compound NameN-(4-fluoro-2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide iodide
PubChem CID126564384
Molecular FormulaC15H22FIN2O
Molecular Weight392.26 g/mol
Exact Mass392.08
IUPAC NameN-(4-fluoro-2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide iodide
SMILESCc1cc(F)cc(C)c1NC(=O)C1CCCC[NH+]1C.[I-]
InChIInChI=1S/C15H21FN2O.HI/c1-10-8-12(16)9-11(2)14(10)17-15(19)13-6-4-5-7-18(13)3;/h8-9,13H,4-7H2,1-3H3,(H,17,19);1H
InChIKeyQJZLRDUUGIHRRP-UHFFFAOYSA-N
XLogP-1.55
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide iodide?
The IUPAC name of N-(4-fluoro-2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide iodide (CID 126564384) is N-(4-fluoro-2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide iodide.
What is the SMILES notation for N-(4-fluoro-2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide iodide?
The canonical SMILES for N-(4-fluoro-2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide iodide is Cc1cc(F)cc(C)c1NC(=O)C1CCCC[NH+]1C.[I-].
What is the InChIKey of N-(4-fluoro-2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide iodide?
The InChIKey is QJZLRDUUGIHRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O.HI/c1-10-8-12(16)9-11(2)14(10)17-15(19)13-6-4-5-7-18(13)3;/h8-9,13H,4-7H2,1-3H3,(H,17,19);1H.
What are the key properties of N-(4-fluoro-2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide iodide?
N-(4-fluoro-2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide iodide has a molecular weight of 392.26 g/mol, XLogP of -1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide iodide is sourced from PubChem (CID 126564384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).