3-(5-ethyl-4-fluoro-2-methoxyphenyl)piperidine

C14H20FNO — CID 117347386

IUPAC3-(5-ethyl-4-fluoro-2-methoxyphenyl)piperidine
SMILESCCc1cc(C2CCCNC2)c(OC)cc1F
InChIInChI=1S/C14H20FNO/c1-3-10-7-12(11-5-4-6-16-9-11)14(17-2)8-13(10)15/h7-8,11,16H,3-6,9H2,1-2H3
InChIKeyKRMUHXWQFLSWOH-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.86
Rot. Bonds3

About 3-(5-ethyl-4-fluoro-2-methoxyphenyl)piperidine

3-(5-ethyl-4-fluoro-2-methoxyphenyl)piperidine (PubChem CID 117347386) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(5-ethyl-4-fluoro-2-methoxyphenyl)piperidine.

Molecular Properties

Compound Name3-(5-ethyl-4-fluoro-2-methoxyphenyl)piperidine
PubChem CID117347386
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-(5-ethyl-4-fluoro-2-methoxyphenyl)piperidine
SMILESCCc1cc(C2CCCNC2)c(OC)cc1F
InChIInChI=1S/C14H20FNO/c1-3-10-7-12(11-5-4-6-16-9-11)14(17-2)8-13(10)15/h7-8,11,16H,3-6,9H2,1-2H3
InChIKeyKRMUHXWQFLSWOH-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]piperidine
CID 117417688
(3S)-3-[5-fluoro-2-methoxy-4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 162471999
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
(3S)-3-[4-(difluoromethoxymethyl)-2,5-dimethoxyphenyl]piperidine
CID 178136922
(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713053
(3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine
CID 99945845
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052
3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine
CID 117430926
(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
3-(4-fluoro-3,5-dimethoxyphenyl)piperidine
CID 84799696
3-(5-chloro-2-ethyl-3-methoxyphenyl)piperidine
CID 117387978
(3R)-3-[5-[(2-fluoro-4,5-dimethoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]piperidine
CID 126450905

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-4-fluoro-2-methoxyphenyl)piperidine?
The IUPAC name of 3-(5-ethyl-4-fluoro-2-methoxyphenyl)piperidine (CID 117347386) is 3-(5-ethyl-4-fluoro-2-methoxyphenyl)piperidine.
What is the SMILES notation for 3-(5-ethyl-4-fluoro-2-methoxyphenyl)piperidine?
The canonical SMILES for 3-(5-ethyl-4-fluoro-2-methoxyphenyl)piperidine is CCc1cc(C2CCCNC2)c(OC)cc1F.
What is the InChIKey of 3-(5-ethyl-4-fluoro-2-methoxyphenyl)piperidine?
The InChIKey is KRMUHXWQFLSWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-10-7-12(11-5-4-6-16-9-11)14(17-2)8-13(10)15/h7-8,11,16H,3-6,9H2,1-2H3.
What are the key properties of 3-(5-ethyl-4-fluoro-2-methoxyphenyl)piperidine?
3-(5-ethyl-4-fluoro-2-methoxyphenyl)piperidine has a molecular weight of 237.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-4-fluoro-2-methoxyphenyl)piperidine is sourced from PubChem (CID 117347386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).