4-(3,5-difluoro-4-methoxyphenoxy)piperidine;hydrochloride

C12H16ClF2NO2 — CID 86704242

IUPAC4-(3,5-difluoro-4-methoxyphenoxy)piperidine;hydrochloride
SMILESCOc1c(F)cc(OC2CCNCC2)cc1F.Cl
InChIInChI=1S/C12H15F2NO2.ClH/c1-16-12-10(13)6-9(7-11(12)14)17-8-2-4-15-5-3-8;/h6-8,15H,2-5H2,1H3;1H
InChIKeyYLLAFEBIEZVBSX-UHFFFAOYSA-N
MW279.71 g/mol
LogP2.53
Rot. Bonds3

About 4-(3,5-difluoro-4-methoxyphenoxy)piperidine;hydrochloride

4-(3,5-difluoro-4-methoxyphenoxy)piperidine;hydrochloride (PubChem CID 86704242) has the molecular formula C12H16ClF2NO2 and a molecular weight of 279.71 g/mol. Its IUPAC name is 4-(3,5-difluoro-4-methoxyphenoxy)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(3,5-difluoro-4-methoxyphenoxy)piperidine;hydrochloride
PubChem CID86704242
Molecular FormulaC12H16ClF2NO2
Molecular Weight279.71 g/mol
Exact Mass279.08
IUPAC Name4-(3,5-difluoro-4-methoxyphenoxy)piperidine;hydrochloride
SMILESCOc1c(F)cc(OC2CCNCC2)cc1F.Cl
InChIInChI=1S/C12H15F2NO2.ClH/c1-16-12-10(13)6-9(7-11(12)14)17-8-2-4-15-5-3-8;/h6-8,15H,2-5H2,1H3;1H
InChIKeyYLLAFEBIEZVBSX-UHFFFAOYSA-N
XLogP2.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.71
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-dimethylphenoxy)piperidine
CID 20735339
4-(3-bromo-4-fluorophenoxy)piperidine
CID 83235035
4-(2,6-difluorophenoxy)piperidine;hydrochloride
CID 170912049
4-(3,4-difluorophenoxy)azepane
CID 63904830
4-(3-bromo-5-fluorophenoxy)piperidine
CID 81332214
4-(4-bromo-3,5-dimethylphenoxy)piperidine
CID 107724469
5-cyclopropyloxy-2-methoxy-1,3-dimethylbenzene
CID 130057399
4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine
CID 84798690
4-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 134691223
(3S)-3-[(1S)-1-(3,5-difluoro-4-methoxyphenoxy)propyl]pyrrolidine
CID 66892314
3-(3,5-dimethylphenoxy)pyrrolidine;hydrochloride
CID 46735722
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluoro-4-methoxyphenoxy)piperidine;hydrochloride?
The IUPAC name of 4-(3,5-difluoro-4-methoxyphenoxy)piperidine;hydrochloride (CID 86704242) is 4-(3,5-difluoro-4-methoxyphenoxy)piperidine;hydrochloride.
What is the SMILES notation for 4-(3,5-difluoro-4-methoxyphenoxy)piperidine;hydrochloride?
The canonical SMILES for 4-(3,5-difluoro-4-methoxyphenoxy)piperidine;hydrochloride is COc1c(F)cc(OC2CCNCC2)cc1F.Cl.
What is the InChIKey of 4-(3,5-difluoro-4-methoxyphenoxy)piperidine;hydrochloride?
The InChIKey is YLLAFEBIEZVBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2.ClH/c1-16-12-10(13)6-9(7-11(12)14)17-8-2-4-15-5-3-8;/h6-8,15H,2-5H2,1H3;1H.
What are the key properties of 4-(3,5-difluoro-4-methoxyphenoxy)piperidine;hydrochloride?
4-(3,5-difluoro-4-methoxyphenoxy)piperidine;hydrochloride has a molecular weight of 279.71 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluoro-4-methoxyphenoxy)piperidine;hydrochloride is sourced from PubChem (CID 86704242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).