4-(3-chloro-2-fluoro-5-methylphenoxy)piperidine;hydrochloride

C12H16Cl2FNO — CID 159916115

IUPAC4-(3-chloro-2-fluoro-5-methylphenoxy)piperidine;hydrochloride
SMILESCc1cc(Cl)c(F)c(OC2CCNCC2)c1.Cl
InChIInChI=1S/C12H15ClFNO.ClH/c1-8-6-10(13)12(14)11(7-8)16-9-2-4-15-5-3-9;/h6-7,9,15H,2-5H2,1H3;1H
InChIKeyXUEXGNCXJOCOCJ-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.34
Rot. Bonds2

About 4-(3-chloro-2-fluoro-5-methylphenoxy)piperidine;hydrochloride

4-(3-chloro-2-fluoro-5-methylphenoxy)piperidine;hydrochloride (PubChem CID 159916115) has the molecular formula C12H16Cl2FNO and a molecular weight of 280.17 g/mol. Its IUPAC name is 4-(3-chloro-2-fluoro-5-methylphenoxy)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(3-chloro-2-fluoro-5-methylphenoxy)piperidine;hydrochloride
PubChem CID159916115
Molecular FormulaC12H16Cl2FNO
Molecular Weight280.17 g/mol
Exact Mass279.06
IUPAC Name4-(3-chloro-2-fluoro-5-methylphenoxy)piperidine;hydrochloride
SMILESCc1cc(Cl)c(F)c(OC2CCNCC2)c1.Cl
InChIInChI=1S/C12H15ClFNO.ClH/c1-8-6-10(13)12(14)11(7-8)16-9-2-4-15-5-3-9;/h6-7,9,15H,2-5H2,1H3;1H
InChIKeyXUEXGNCXJOCOCJ-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluoro-5-methylphenoxy)piperidine;hydrochloride?
The IUPAC name of 4-(3-chloro-2-fluoro-5-methylphenoxy)piperidine;hydrochloride (CID 159916115) is 4-(3-chloro-2-fluoro-5-methylphenoxy)piperidine;hydrochloride.
What is the SMILES notation for 4-(3-chloro-2-fluoro-5-methylphenoxy)piperidine;hydrochloride?
The canonical SMILES for 4-(3-chloro-2-fluoro-5-methylphenoxy)piperidine;hydrochloride is Cc1cc(Cl)c(F)c(OC2CCNCC2)c1.Cl.
What is the InChIKey of 4-(3-chloro-2-fluoro-5-methylphenoxy)piperidine;hydrochloride?
The InChIKey is XUEXGNCXJOCOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO.ClH/c1-8-6-10(13)12(14)11(7-8)16-9-2-4-15-5-3-9;/h6-7,9,15H,2-5H2,1H3;1H.
What are the key properties of 4-(3-chloro-2-fluoro-5-methylphenoxy)piperidine;hydrochloride?
4-(3-chloro-2-fluoro-5-methylphenoxy)piperidine;hydrochloride has a molecular weight of 280.17 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluoro-5-methylphenoxy)piperidine;hydrochloride is sourced from PubChem (CID 159916115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).