4-ethyl-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidine

C16H24FNO — CID 114426204

IUPAC4-ethyl-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidine
SMILESCCC1CCNC(CCc2ccc(OC)c(F)c2)C1
InChIInChI=1S/C16H24FNO/c1-3-12-8-9-18-14(10-12)6-4-13-5-7-16(19-2)15(17)11-13/h5,7,11-12,14,18H,3-4,6,8-10H2,1-2H3
InChIKeyZHAVLGYKEZIHRE-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.55
Rot. Bonds5

About 4-ethyl-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidine

4-ethyl-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidine (PubChem CID 114426204) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 4-ethyl-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidine.

Molecular Properties

Compound Name4-ethyl-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidine
PubChem CID114426204
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name4-ethyl-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidine
SMILESCCC1CCNC(CCc2ccc(OC)c(F)c2)C1
InChIInChI=1S/C16H24FNO/c1-3-12-8-9-18-14(10-12)6-4-13-5-7-16(19-2)15(17)11-13/h5,7,11-12,14,18H,3-4,6,8-10H2,1-2H3
InChIKeyZHAVLGYKEZIHRE-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidine?
The IUPAC name of 4-ethyl-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidine (CID 114426204) is 4-ethyl-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidine.
What is the SMILES notation for 4-ethyl-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidine?
The canonical SMILES for 4-ethyl-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidine is CCC1CCNC(CCc2ccc(OC)c(F)c2)C1.
What is the InChIKey of 4-ethyl-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidine?
The InChIKey is ZHAVLGYKEZIHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-12-8-9-18-14(10-12)6-4-13-5-7-16(19-2)15(17)11-13/h5,7,11-12,14,18H,3-4,6,8-10H2,1-2H3.
What are the key properties of 4-ethyl-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidine?
4-ethyl-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidine has a molecular weight of 265.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidine is sourced from PubChem (CID 114426204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).