2-[(E)-2-(2,5-difluorophenyl)ethenyl]-4-methylpiperidine

C14H17F2N — CID 116686106

IUPAC2-[(E)-2-(2,5-difluorophenyl)ethenyl]-4-methylpiperidine
SMILESCC1CCNC(/C=C/c2cc(F)ccc2F)C1
InChIInChI=1S/C14H17F2N/c1-10-6-7-17-13(8-10)4-2-11-9-12(15)3-5-14(11)16/h2-5,9-10,13,17H,6-8H2,1H3/b4-2+
InChIKeyPJVOLDVIDJUEGV-DUXPYHPUSA-N
MW237.29 g/mol
LogP3.37
Rot. Bonds2

About 2-[(E)-2-(2,5-difluorophenyl)ethenyl]-4-methylpiperidine

2-[(E)-2-(2,5-difluorophenyl)ethenyl]-4-methylpiperidine (PubChem CID 116686106) has the molecular formula C14H17F2N and a molecular weight of 237.29 g/mol. Its IUPAC name is 2-[(E)-2-(2,5-difluorophenyl)ethenyl]-4-methylpiperidine.

Molecular Properties

Compound Name2-[(E)-2-(2,5-difluorophenyl)ethenyl]-4-methylpiperidine
PubChem CID116686106
Molecular FormulaC14H17F2N
Molecular Weight237.29 g/mol
Exact Mass237.13
IUPAC Name2-[(E)-2-(2,5-difluorophenyl)ethenyl]-4-methylpiperidine
SMILESCC1CCNC(/C=C/c2cc(F)ccc2F)C1
InChIInChI=1S/C14H17F2N/c1-10-6-7-17-13(8-10)4-2-11-9-12(15)3-5-14(11)16/h2-5,9-10,13,17H,6-8H2,1H3/b4-2+
InChIKeyPJVOLDVIDJUEGV-DUXPYHPUSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,5-difluorophenyl)ethenyl]-4-methylpiperidine?
The IUPAC name of 2-[(E)-2-(2,5-difluorophenyl)ethenyl]-4-methylpiperidine (CID 116686106) is 2-[(E)-2-(2,5-difluorophenyl)ethenyl]-4-methylpiperidine.
What is the SMILES notation for 2-[(E)-2-(2,5-difluorophenyl)ethenyl]-4-methylpiperidine?
The canonical SMILES for 2-[(E)-2-(2,5-difluorophenyl)ethenyl]-4-methylpiperidine is CC1CCNC(/C=C/c2cc(F)ccc2F)C1.
What is the InChIKey of 2-[(E)-2-(2,5-difluorophenyl)ethenyl]-4-methylpiperidine?
The InChIKey is PJVOLDVIDJUEGV-DUXPYHPUSA-N. The full InChI is InChI=1S/C14H17F2N/c1-10-6-7-17-13(8-10)4-2-11-9-12(15)3-5-14(11)16/h2-5,9-10,13,17H,6-8H2,1H3/b4-2+.
What are the key properties of 2-[(E)-2-(2,5-difluorophenyl)ethenyl]-4-methylpiperidine?
2-[(E)-2-(2,5-difluorophenyl)ethenyl]-4-methylpiperidine has a molecular weight of 237.29 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,5-difluorophenyl)ethenyl]-4-methylpiperidine is sourced from PubChem (CID 116686106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).