3-[2-(fluoromethyl)-3-methoxyphenyl]piperidine

C13H18FNO — CID 84688526

IUPAC3-[2-(fluoromethyl)-3-methoxyphenyl]piperidine
SMILESCOc1cccc(C2CCCNC2)c1CF
InChIInChI=1S/C13H18FNO/c1-16-13-6-2-5-11(12(13)8-14)10-4-3-7-15-9-10/h2,5-6,10,15H,3-4,7-9H2,1H3
InChIKeyXLNSOSVZSKPMOO-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.63
Rot. Bonds3

About 3-[2-(fluoromethyl)-3-methoxyphenyl]piperidine

3-[2-(fluoromethyl)-3-methoxyphenyl]piperidine (PubChem CID 84688526) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-[2-(fluoromethyl)-3-methoxyphenyl]piperidine.

Molecular Properties

Compound Name3-[2-(fluoromethyl)-3-methoxyphenyl]piperidine
PubChem CID84688526
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-[2-(fluoromethyl)-3-methoxyphenyl]piperidine
SMILESCOc1cccc(C2CCCNC2)c1CF
InChIInChI=1S/C13H18FNO/c1-16-13-6-2-5-11(12(13)8-14)10-4-3-7-15-9-10/h2,5-6,10,15H,3-4,7-9H2,1H3
InChIKeyXLNSOSVZSKPMOO-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine
CID 84700227
3-(2-cyclobutyloxy-3-methoxyphenyl)piperidine
CID 117408157
2-methoxy-3-piperidin-3-ylaniline
CID 174616983
(3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine
CID 99945848
3-(2-bromo-3-methoxyphenyl)pyrrolidine
CID 83730898
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621
3-[2-(1-fluoroethyl)-6-methoxyphenyl]piperidine
CID 84700224
4-methoxy-3-piperidin-3-ylphenol
CID 117296244
(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
CID 117422244
3-(2-methoxy-4-methylsulfonylphenyl)piperidine
CID 117426853
3-[(2-bromo-6-methoxyphenyl)methyl]piperidine
CID 84812911

Frequently Asked Questions

What is the IUPAC name of 3-[2-(fluoromethyl)-3-methoxyphenyl]piperidine?
The IUPAC name of 3-[2-(fluoromethyl)-3-methoxyphenyl]piperidine (CID 84688526) is 3-[2-(fluoromethyl)-3-methoxyphenyl]piperidine.
What is the SMILES notation for 3-[2-(fluoromethyl)-3-methoxyphenyl]piperidine?
The canonical SMILES for 3-[2-(fluoromethyl)-3-methoxyphenyl]piperidine is COc1cccc(C2CCCNC2)c1CF.
What is the InChIKey of 3-[2-(fluoromethyl)-3-methoxyphenyl]piperidine?
The InChIKey is XLNSOSVZSKPMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-16-13-6-2-5-11(12(13)8-14)10-4-3-7-15-9-10/h2,5-6,10,15H,3-4,7-9H2,1H3.
What are the key properties of 3-[2-(fluoromethyl)-3-methoxyphenyl]piperidine?
3-[2-(fluoromethyl)-3-methoxyphenyl]piperidine has a molecular weight of 223.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(fluoromethyl)-3-methoxyphenyl]piperidine is sourced from PubChem (CID 84688526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).