2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine

C13H17ClFNO — CID 117397971

IUPAC2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine
SMILESCOc1c(C)cc(Cl)c(F)c1C1CCCCN1
InChIInChI=1S/C13H17ClFNO/c1-8-7-9(14)12(15)11(13(8)17-2)10-5-3-4-6-16-10/h7,10,16H,3-6H2,1-2H3
InChIKeyLTSYFWIGZRCWJD-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.61
Rot. Bonds2

About 2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine

2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine (PubChem CID 117397971) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine.

Molecular Properties

Compound Name2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine
PubChem CID117397971
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine
SMILESCOc1c(C)cc(Cl)c(F)c1C1CCCCN1
InChIInChI=1S/C13H17ClFNO/c1-8-7-9(14)12(15)11(13(8)17-2)10-5-3-4-6-16-10/h7,10,16H,3-6H2,1-2H3
InChIKeyLTSYFWIGZRCWJD-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2,5-difluoro-6-methoxyphenyl)piperidine
CID 117409057
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)piperidine
CID 117397972
2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117427671
2-(5-chloro-2,3-difluoro-4-methoxyphenyl)piperidine
CID 117409054
(2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride
CID 171195127
2-(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)piperidine
CID 117474234
6-chloro-3-fluoro-4-methyl-2-pyrrolidin-2-ylphenol
CID 84793255
2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)piperidine
CID 117486587
2-(3-chloro-5-fluoro-2,6-dimethylphenyl)piperidine
CID 84801356
2-(4-methoxy-2,3,5-trimethylphenyl)piperidine
CID 82290366
2-(3,5-dichloro-2-methoxyphenyl)piperidine
CID 82301361
4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol
CID 117352288

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine?
The IUPAC name of 2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine (CID 117397971) is 2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine.
What is the SMILES notation for 2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine?
The canonical SMILES for 2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine is COc1c(C)cc(Cl)c(F)c1C1CCCCN1.
What is the InChIKey of 2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine?
The InChIKey is LTSYFWIGZRCWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-8-7-9(14)12(15)11(13(8)17-2)10-5-3-4-6-16-10/h7,10,16H,3-6H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine?
2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine has a molecular weight of 257.74 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine is sourced from PubChem (CID 117397971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).