3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine

C14H20FNO — CID 84700227

IUPAC3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine
SMILESCOc1cccc(C2CCCNC2)c1C(C)F
InChIInChI=1S/C14H20FNO/c1-10(15)14-12(6-3-7-13(14)17-2)11-5-4-8-16-9-11/h3,6-7,10-11,16H,4-5,8-9H2,1-2H3
InChIKeyQQSDGPTUISIQQG-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.19
Rot. Bonds3

About 3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine

3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine (PubChem CID 84700227) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine.

Molecular Properties

Compound Name3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine
PubChem CID84700227
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine
SMILESCOc1cccc(C2CCCNC2)c1C(C)F
InChIInChI=1S/C14H20FNO/c1-10(15)14-12(6-3-7-13(14)17-2)11-5-4-8-16-9-11/h3,6-7,10-11,16H,4-5,8-9H2,1-2H3
InChIKeyQQSDGPTUISIQQG-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(1-fluoroethyl)-6-methoxyphenyl]piperidine
CID 84700224
3-[2-(fluoromethyl)-3-methoxyphenyl]piperidine
CID 84688526
2-[2-(1-fluoroethyl)-3-methoxyphenyl]morpholine
CID 117350776
3-(2-cyclobutyloxy-3-methoxyphenyl)piperidine
CID 117408157
(3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine
CID 99945848
2-methoxy-3-piperidin-3-ylaniline
CID 174616983
3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine
CID 117430926
3-(2-bromo-3-methoxyphenyl)pyrrolidine
CID 83730898
3-(2,4-dimethoxy-3-propan-2-ylphenyl)pyrrolidine
CID 117377277
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621
3-[2-methoxy-3-(oxan-3-yloxy)phenyl]piperidine
CID 117470801
4-methoxy-3-piperidin-3-ylphenol
CID 117296244

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine?
The IUPAC name of 3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine (CID 84700227) is 3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine.
What is the SMILES notation for 3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine?
The canonical SMILES for 3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine is COc1cccc(C2CCCNC2)c1C(C)F.
What is the InChIKey of 3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine?
The InChIKey is QQSDGPTUISIQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(15)14-12(6-3-7-13(14)17-2)11-5-4-8-16-9-11/h3,6-7,10-11,16H,4-5,8-9H2,1-2H3.
What are the key properties of 3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine?
3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine has a molecular weight of 237.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine is sourced from PubChem (CID 84700227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).