3-(2-chloro-4,6-dimethylphenyl)piperidine

C13H18ClN — CID 84789545

IUPAC3-(2-chloro-4,6-dimethylphenyl)piperidine
SMILESCc1cc(C)c(C2CCCNC2)c(Cl)c1
InChIInChI=1S/C13H18ClN/c1-9-6-10(2)13(12(14)7-9)11-4-3-5-15-8-11/h6-7,11,15H,3-5,8H2,1-2H3
InChIKeyLKGQUNZSISAUMF-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.42
Rot. Bonds1

About 3-(2-chloro-4,6-dimethylphenyl)piperidine

3-(2-chloro-4,6-dimethylphenyl)piperidine (PubChem CID 84789545) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 3-(2-chloro-4,6-dimethylphenyl)piperidine.

Molecular Properties

Compound Name3-(2-chloro-4,6-dimethylphenyl)piperidine
PubChem CID84789545
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name3-(2-chloro-4,6-dimethylphenyl)piperidine
SMILESCc1cc(C)c(C2CCCNC2)c(Cl)c1
InChIInChI=1S/C13H18ClN/c1-9-6-10(2)13(12(14)7-9)11-4-3-5-15-8-11/h6-7,11,15H,3-5,8H2,1-2H3
InChIKeyLKGQUNZSISAUMF-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-5-methyl-4-piperidin-3-ylbenzene-1,2-diol
CID 117356245
3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol
CID 117392624
3-(2,4-dimethylphenyl)piperidine
CID 10535662
2-chloro-6-methyl-4-piperidin-3-ylphenol
CID 84690213
3-(2,6-dimethylphenyl)piperidine;ethane
CID 143178371
3-(3-fluoro-5-methylphenyl)piperidine
CID 79003681
3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine
CID 82492093
3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
CID 117376942
(3S)-3-(2,5-dimethylphenyl)piperidine
CID 92981749
3-(2-chloro-6-methylphenyl)pyrrolidine
CID 117103928
(3S)-3-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]piperidine
CID 86320246
3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117352217

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4,6-dimethylphenyl)piperidine?
The IUPAC name of 3-(2-chloro-4,6-dimethylphenyl)piperidine (CID 84789545) is 3-(2-chloro-4,6-dimethylphenyl)piperidine.
What is the SMILES notation for 3-(2-chloro-4,6-dimethylphenyl)piperidine?
The canonical SMILES for 3-(2-chloro-4,6-dimethylphenyl)piperidine is Cc1cc(C)c(C2CCCNC2)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4,6-dimethylphenyl)piperidine?
The InChIKey is LKGQUNZSISAUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-9-6-10(2)13(12(14)7-9)11-4-3-5-15-8-11/h6-7,11,15H,3-5,8H2,1-2H3.
What are the key properties of 3-(2-chloro-4,6-dimethylphenyl)piperidine?
3-(2-chloro-4,6-dimethylphenyl)piperidine has a molecular weight of 223.75 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4,6-dimethylphenyl)piperidine is sourced from PubChem (CID 84789545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).