2-(3-chloro-5-fluoro-2,6-dimethylphenyl)piperidine

C13H17ClFN — CID 84801356

IUPAC2-(3-chloro-5-fluoro-2,6-dimethylphenyl)piperidine
SMILESCc1c(F)cc(Cl)c(C)c1C1CCCCN1
InChIInChI=1S/C13H17ClFN/c1-8-10(14)7-11(15)9(2)13(8)12-5-3-4-6-16-12/h7,12,16H,3-6H2,1-2H3
InChIKeyKHASJAMEKKBAAK-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.91
Rot. Bonds1

About 2-(3-chloro-5-fluoro-2,6-dimethylphenyl)piperidine

2-(3-chloro-5-fluoro-2,6-dimethylphenyl)piperidine (PubChem CID 84801356) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 2-(3-chloro-5-fluoro-2,6-dimethylphenyl)piperidine.

Molecular Properties

Compound Name2-(3-chloro-5-fluoro-2,6-dimethylphenyl)piperidine
PubChem CID84801356
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name2-(3-chloro-5-fluoro-2,6-dimethylphenyl)piperidine
SMILESCc1c(F)cc(Cl)c(C)c1C1CCCCN1
InChIInChI=1S/C13H17ClFN/c1-8-10(14)7-11(15)9(2)13(8)12-5-3-4-6-16-12/h7,12,16H,3-6H2,1-2H3
InChIKeyKHASJAMEKKBAAK-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)piperidine
CID 117397972
2-(3-chloro-2,5-difluoro-6-methoxyphenyl)piperidine
CID 117409057
2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)piperidine
CID 117486587
(2S)-2-(4-chloro-2-fluoro-5-methylphenyl)pyrrolidine
CID 66518685
4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol
CID 117352288
2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine
CID 117397971
(2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride
CID 171194835
(2R)-2-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine
CID 66519369
(2R)-2-(2,6-difluoro-3-methylphenyl)piperidine
CID 131271517
3-chloro-2-methyl-5-piperidin-2-ylphenol
CID 84790686
2-(5-chloro-2,3-difluorophenyl)piperidine
CID 84795035
2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 117387320

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluoro-2,6-dimethylphenyl)piperidine?
The IUPAC name of 2-(3-chloro-5-fluoro-2,6-dimethylphenyl)piperidine (CID 84801356) is 2-(3-chloro-5-fluoro-2,6-dimethylphenyl)piperidine.
What is the SMILES notation for 2-(3-chloro-5-fluoro-2,6-dimethylphenyl)piperidine?
The canonical SMILES for 2-(3-chloro-5-fluoro-2,6-dimethylphenyl)piperidine is Cc1c(F)cc(Cl)c(C)c1C1CCCCN1.
What is the InChIKey of 2-(3-chloro-5-fluoro-2,6-dimethylphenyl)piperidine?
The InChIKey is KHASJAMEKKBAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-8-10(14)7-11(15)9(2)13(8)12-5-3-4-6-16-12/h7,12,16H,3-6H2,1-2H3.
What are the key properties of 2-(3-chloro-5-fluoro-2,6-dimethylphenyl)piperidine?
2-(3-chloro-5-fluoro-2,6-dimethylphenyl)piperidine has a molecular weight of 241.74 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluoro-2,6-dimethylphenyl)piperidine is sourced from PubChem (CID 84801356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).