1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]piperidin-1-ium

C14H20Cl2NO+ — CID 7460460

IUPAC1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]piperidin-1-ium
SMILESCc1cc(Cl)cc(Cl)c1OCC[NH+]1CCCCC1
InChIInChI=1S/C14H19Cl2NO/c1-11-9-12(15)10-13(16)14(11)18-8-7-17-5-3-2-4-6-17/h9-10H,2-8H2,1H3/p+1
InChIKeyLCIVXVJGFROTRU-UHFFFAOYSA-O
MW289.23 g/mol
LogP2.75
Rot. Bonds4

About 1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]piperidin-1-ium

1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]piperidin-1-ium (PubChem CID 7460460) has the molecular formula C14H20Cl2NO+ and a molecular weight of 289.23 g/mol. Its IUPAC name is 1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]piperidin-1-ium.

Molecular Properties

Compound Name1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]piperidin-1-ium
PubChem CID7460460
Molecular FormulaC14H20Cl2NO+
Molecular Weight289.23 g/mol
Exact Mass288.09
IUPAC Name1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]piperidin-1-ium
SMILESCc1cc(Cl)cc(Cl)c1OCC[NH+]1CCCCC1
InChIInChI=1S/C14H19Cl2NO/c1-11-9-12(15)10-13(16)14(11)18-8-7-17-5-3-2-4-6-17/h9-10H,2-8H2,1H3/p+1
InChIKeyLCIVXVJGFROTRU-UHFFFAOYSA-O
XLogP2.75
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]piperazine-1,4-diium
CID 2269834
1-[2-(2,4-dichlorophenoxy)ethyl]pyrrolidin-1-ium
CID 7446277
1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]pyrrolidin-1-ium
CID 2245875
5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene
CID 123242846
2-(2,4-dichloro-6-methylphenoxy)-N-methylethanamine;hydrochloride
CID 44828457
1,5-dichloro-2-(fluoromethoxy)-3-methylbenzene
CID 130766678
1-[4-(4-chloro-3-methylphenoxy)butyl]piperidin-1-ium
CID 2262981
1,5-dichloro-2-[3-(4-methoxyphenoxy)propoxy]-3-methylbenzene
CID 4302361
2-piperidin-1-ium-1-ylethyl 2,4-dichlorobenzoate
CID 7321548
1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]piperidin-1-ium
CID 7381548
1-[3-(2-chloro-4-methylphenoxy)propyl]piperidin-1-ium
CID 2250602
1-[3-(2-chloro-5-methylphenoxy)propyl]piperidin-1-ium
CID 2261807

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]piperidin-1-ium?
The IUPAC name of 1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]piperidin-1-ium (CID 7460460) is 1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]piperidin-1-ium.
What is the SMILES notation for 1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]piperidin-1-ium?
The canonical SMILES for 1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]piperidin-1-ium is Cc1cc(Cl)cc(Cl)c1OCC[NH+]1CCCCC1.
What is the InChIKey of 1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]piperidin-1-ium?
The InChIKey is LCIVXVJGFROTRU-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H19Cl2NO/c1-11-9-12(15)10-13(16)14(11)18-8-7-17-5-3-2-4-6-17/h9-10H,2-8H2,1H3/p+1.
What are the key properties of 1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]piperidin-1-ium?
1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]piperidin-1-ium has a molecular weight of 289.23 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]piperidin-1-ium is sourced from PubChem (CID 7460460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).