N-(2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide chloride

C15H23ClN2O — CID 517315

IUPACN-(2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide chloride
SMILESCc1cccc(C)c1NC(=O)C1CCCC[NH+]1C.[Cl-]
InChIInChI=1S/C15H22N2O.ClH/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3;/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18);1H
InChIKeyRETIMRUQNCDCQB-UHFFFAOYSA-N
MW282.81 g/mol
LogP-1.69
Rot. Bonds2

About N-(2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide chloride

N-(2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide chloride (PubChem CID 517315) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide chloride.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide chloride
PubChem CID517315
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-(2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide chloride
SMILESCc1cccc(C)c1NC(=O)C1CCCC[NH+]1C.[Cl-]
InChIInChI=1S/C15H22N2O.ClH/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3;/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18);1H
InChIKeyRETIMRUQNCDCQB-UHFFFAOYSA-N
XLogP-1.69
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide
CID 24848322
N-(4-fluoro-2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide iodide
CID 126564384
(2S)-1-methyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide
CID 7405903
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidin-1-ium-2-carboxamide;chloride;hydrate
CID 53262281
1-butyl-N-(2,6-dimethylphenyl)piperidin-1-ium-2-carboxamide
CID 24848321
1-butyl-N-(2,6-dimethylphenyl)piperidin-1-ium-2-carboxamide;dodecanoate
CID 121483382
N-(2,6-dimethylphenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
CID 82121754
N-(2,6-dimethylphenyl)azepane-2-carboxamide
CID 64562214
N-(2,6-dimethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470360
N-(2,6-dimethylphenyl)oxolane-2-carboxamide
CID 3155119
(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride
CID 66586222
(2R)-N-(2,6-dimethylphenyl)-1-ethylpiperidine-2-carboxamide
CID 71421475

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide chloride?
The IUPAC name of N-(2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide chloride (CID 517315) is N-(2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide chloride.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide chloride?
The canonical SMILES for N-(2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide chloride is Cc1cccc(C)c1NC(=O)C1CCCC[NH+]1C.[Cl-].
What is the InChIKey of N-(2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide chloride?
The InChIKey is RETIMRUQNCDCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3;/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18);1H.
What are the key properties of N-(2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide chloride?
N-(2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide chloride has a molecular weight of 282.81 g/mol, XLogP of -1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide chloride is sourced from PubChem (CID 517315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).