2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]piperidine

C14H18FNO — CID 104703643

IUPAC2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]piperidine
SMILESCOc1ccc(/C=C/C2CCCCN2)cc1F
InChIInChI=1S/C14H18FNO/c1-17-14-8-6-11(10-13(14)15)5-7-12-4-2-3-9-16-12/h5-8,10,12,16H,2-4,9H2,1H3/b7-5+
InChIKeyGJWFHFCSKXNDMB-FNORWQNLSA-N
MW235.30 g/mol
LogP2.99
Rot. Bonds3

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

2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]piperidine (PubChem CID 104703643) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]piperidine.

Molecular Properties

Compound Name2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]piperidine
PubChem CID104703643
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]piperidine
SMILESCOc1ccc(/C=C/C2CCCCN2)cc1F
InChIInChI=1S/C14H18FNO/c1-17-14-8-6-11(10-13(14)15)5-7-12-4-2-3-9-16-12/h5-8,10,12,16H,2-4,9H2,1H3/b7-5+
InChIKeyGJWFHFCSKXNDMB-FNORWQNLSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]piperidine?
The IUPAC name of 2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]piperidine (CID 104703643) is 2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]piperidine.
What is the SMILES notation for 2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]piperidine?
The canonical SMILES for 2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]piperidine is COc1ccc(/C=C/C2CCCCN2)cc1F.
What is the InChIKey of 2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]piperidine?
The InChIKey is GJWFHFCSKXNDMB-FNORWQNLSA-N. The full InChI is InChI=1S/C14H18FNO/c1-17-14-8-6-11(10-13(14)15)5-7-12-4-2-3-9-16-12/h5-8,10,12,16H,2-4,9H2,1H3/b7-5+.
What are the key properties of 2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]piperidine?
2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]piperidine has a molecular weight of 235.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]piperidine is sourced from PubChem (CID 104703643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).