2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine

C13H17F2NO — CID 117355168

IUPAC2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine
SMILESCOc1c(F)ccc(CC2CCCCN2)c1F
InChIInChI=1S/C13H17F2NO/c1-17-13-11(14)6-5-9(12(13)15)8-10-4-2-3-7-16-10/h5-6,10,16H,2-4,7-8H2,1H3
InChIKeyOSULCZGWEGZNCZ-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.66
Rot. Bonds3

About 2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine

2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine (PubChem CID 117355168) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine
PubChem CID117355168
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine
SMILESCOc1c(F)ccc(CC2CCCCN2)c1F
InChIInChI=1S/C13H17F2NO/c1-17-13-11(14)6-5-9(12(13)15)8-10-4-2-3-7-16-10/h5-6,10,16H,2-4,7-8H2,1H3
InChIKeyOSULCZGWEGZNCZ-UHFFFAOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine
CID 117422077
2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine
CID 117455554
2-[(6-bromo-3-fluoro-2-methoxyphenyl)methyl]pyrrolidine
CID 117465019
2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 82612103
2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
CID 117301581
2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine
CID 117451909
2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386331
2,3-difluoro-4-(piperidin-2-ylmethyl)phenol
CID 117326852
2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine
CID 117355169
2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine
CID 117437129
2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
CID 117417665
2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine
CID 117422294

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine?
The IUPAC name of 2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine (CID 117355168) is 2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine is COc1c(F)ccc(CC2CCCCN2)c1F.
What is the InChIKey of 2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine?
The InChIKey is OSULCZGWEGZNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-17-13-11(14)6-5-9(12(13)15)8-10-4-2-3-7-16-10/h5-6,10,16H,2-4,7-8H2,1H3.
What are the key properties of 2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine?
2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine has a molecular weight of 241.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 117355168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).