3-(4-fluoro-3,5-dimethoxyphenyl)piperidine

C13H18FNO2 — CID 84799696

IUPAC3-(4-fluoro-3,5-dimethoxyphenyl)piperidine
SMILESCOc1cc(C2CCCNC2)cc(OC)c1F
InChIInChI=1S/C13H18FNO2/c1-16-11-6-10(7-12(17-2)13(11)14)9-4-3-5-15-8-9/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeyOWHUWKIOODBQOE-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.31
Rot. Bonds3

About 3-(4-fluoro-3,5-dimethoxyphenyl)piperidine

3-(4-fluoro-3,5-dimethoxyphenyl)piperidine (PubChem CID 84799696) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-(4-fluoro-3,5-dimethoxyphenyl)piperidine.

Molecular Properties

Compound Name3-(4-fluoro-3,5-dimethoxyphenyl)piperidine
PubChem CID84799696
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name3-(4-fluoro-3,5-dimethoxyphenyl)piperidine
SMILESCOc1cc(C2CCCNC2)cc(OC)c1F
InChIInChI=1S/C13H18FNO2/c1-16-11-6-10(7-12(17-2)13(11)14)9-4-3-5-15-8-9/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeyOWHUWKIOODBQOE-UHFFFAOYSA-N
XLogP2.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine
CID 99945845
3-(4-fluoro-3-methoxy-5-methylphenyl)piperidine
CID 117320080
3-(3-bromo-4-fluoro-5-methoxyphenyl)piperidine
CID 117465048
3-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)piperidine
CID 117381984
3-(3-bromo-5-methoxy-4-methylphenyl)piperidine
CID 117457367
(3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine
CID 99945848
3-(3-fluoro-5-methylphenyl)piperidine
CID 79003681
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
3-(2-chloro-4,5-dimethoxyphenyl)piperidine
CID 117392623
2-methoxy-6-methyl-4-piperidin-3-ylpyridine
CID 146284880
3-(5-ethyl-4-fluoro-2-methoxyphenyl)piperidine
CID 117347386
3-(4-methoxyphenyl)piperidine
CID 12937920

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3,5-dimethoxyphenyl)piperidine?
The IUPAC name of 3-(4-fluoro-3,5-dimethoxyphenyl)piperidine (CID 84799696) is 3-(4-fluoro-3,5-dimethoxyphenyl)piperidine.
What is the SMILES notation for 3-(4-fluoro-3,5-dimethoxyphenyl)piperidine?
The canonical SMILES for 3-(4-fluoro-3,5-dimethoxyphenyl)piperidine is COc1cc(C2CCCNC2)cc(OC)c1F.
What is the InChIKey of 3-(4-fluoro-3,5-dimethoxyphenyl)piperidine?
The InChIKey is OWHUWKIOODBQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-11-6-10(7-12(17-2)13(11)14)9-4-3-5-15-8-9/h6-7,9,15H,3-5,8H2,1-2H3.
What are the key properties of 3-(4-fluoro-3,5-dimethoxyphenyl)piperidine?
3-(4-fluoro-3,5-dimethoxyphenyl)piperidine has a molecular weight of 239.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3,5-dimethoxyphenyl)piperidine is sourced from PubChem (CID 84799696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).