2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]piperidine

C14H17F2NO — CID 113443105

IUPAC2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]piperidine
SMILESFC(F)Oc1ccc(/C=C/C2CCCCN2)cc1
InChIInChI=1S/C14H17F2NO/c15-14(16)18-13-8-5-11(6-9-13)4-7-12-3-1-2-10-17-12/h4-9,12,14,17H,1-3,10H2/b7-4+
InChIKeyQSRRTYWTJFAHDY-QPJJXVBHSA-N
MW253.29 g/mol
LogP3.44
Rot. Bonds4

About 2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]piperidine

2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]piperidine (PubChem CID 113443105) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]piperidine.

Molecular Properties

Compound Name2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]piperidine
PubChem CID113443105
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]piperidine
SMILESFC(F)Oc1ccc(/C=C/C2CCCCN2)cc1
InChIInChI=1S/C14H17F2NO/c15-14(16)18-13-8-5-11(6-9-13)4-7-12-3-1-2-10-17-12/h4-9,12,14,17H,1-3,10H2/b7-4+
InChIKeyQSRRTYWTJFAHDY-QPJJXVBHSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-(4-fluorophenyl)ethenyl]piperidine;hydrochloride
CID 126844801
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine
CID 113443116
2-[(E)-2-(3,5-dimethylphenyl)ethenyl]azocane
CID 114239669
1-[2-(4-butoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene
CID 54255138
2-[1-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 117051326
(E)-N-cyclooctyl-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7962251
2-[(E)-2-(3,5-difluorophenyl)ethenyl]pyrrolidine;hydrochloride
CID 126844673
2-[(E)-2-(2-methoxyphenyl)ethenyl]azepane
CID 104703913
2-[(E)-2-(2-fluorophenyl)ethenyl]azocane
CID 114239682
1-(difluoromethoxy)-4-[2-(4-heptoxycyclohexyl)ethenyl]benzene
CID 54015791
1-[2-(4-decoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene
CID 54331171
4-[4-(difluoromethoxy)phenoxy]piperidine
CID 86685910

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]piperidine?
The IUPAC name of 2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]piperidine (CID 113443105) is 2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]piperidine.
What is the SMILES notation for 2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]piperidine?
The canonical SMILES for 2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]piperidine is FC(F)Oc1ccc(/C=C/C2CCCCN2)cc1.
What is the InChIKey of 2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]piperidine?
The InChIKey is QSRRTYWTJFAHDY-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H17F2NO/c15-14(16)18-13-8-5-11(6-9-13)4-7-12-3-1-2-10-17-12/h4-9,12,14,17H,1-3,10H2/b7-4+.
What are the key properties of 2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]piperidine?
2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]piperidine has a molecular weight of 253.29 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]piperidine is sourced from PubChem (CID 113443105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).