2-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpiperidine

C14H20FNO — CID 82810757

IUPAC2-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpiperidine
SMILESCOc1cccc(CC2CCC(C)CN2)c1F
InChIInChI=1S/C14H20FNO/c1-10-6-7-12(16-9-10)8-11-4-3-5-13(17-2)14(11)15/h3-5,10,12,16H,6-9H2,1-2H3
InChIKeyFFPJNDBYIAXGRM-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.76
Rot. Bonds3

About 2-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpiperidine

2-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpiperidine (PubChem CID 82810757) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpiperidine.

Molecular Properties

Compound Name2-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpiperidine
PubChem CID82810757
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpiperidine
SMILESCOc1cccc(CC2CCC(C)CN2)c1F
InChIInChI=1S/C14H20FNO/c1-10-6-7-12(16-9-10)8-11-4-3-5-13(17-2)14(11)15/h3-5,10,12,16H,6-9H2,1-2H3
InChIKeyFFPJNDBYIAXGRM-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol
CID 113453825
1-[(2-chloro-5-methylcyclohexyl)methyl]-2-fluoro-3-methoxybenzene
CID 113453828
3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104795133
2-[(2-methoxy-3,4-dimethylphenyl)methyl]-5-methylpiperidine
CID 103434193
2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol
CID 104793177
2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methyl]benzene
CID 20742506
1-[(2-bromocyclohexyl)methyl]-2-fluoro-3-methoxybenzene
CID 104794444
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 83811098
3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 104795136
2-[(2-fluoro-3-methoxyphenyl)methyl]-4-propylcyclohexan-1-one
CID 104792635
[2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105210747
2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 116547496

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpiperidine?
The IUPAC name of 2-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpiperidine (CID 82810757) is 2-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpiperidine.
What is the SMILES notation for 2-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpiperidine?
The canonical SMILES for 2-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpiperidine is COc1cccc(CC2CCC(C)CN2)c1F.
What is the InChIKey of 2-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpiperidine?
The InChIKey is FFPJNDBYIAXGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-6-7-12(16-9-10)8-11-4-3-5-13(17-2)14(11)15/h3-5,10,12,16H,6-9H2,1-2H3.
What are the key properties of 2-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpiperidine?
2-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpiperidine has a molecular weight of 237.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpiperidine is sourced from PubChem (CID 82810757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).