4-[4-(difluoromethyl)phenyl]-1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]piperidine

C24H27F2NO2 — CID 156560675

IUPAC4-[4-(difluoromethyl)phenyl]-1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]piperidine
SMILESC=C(c1ccc(C2(OC)COC2)cc1)N1CCC(c2ccc(C(F)F)cc2)CC1
InChIInChI=1S/C24H27F2NO2/c1-17(18-7-9-22(10-8-18)24(28-2)15-29-16-24)27-13-11-20(12-14-27)19-3-5-21(6-4-19)23(25)26/h3-10,20,23H,1,11-16H2,2H3
InChIKeyVHJZAMJAHYKUEJ-UHFFFAOYSA-N
MW399.48 g/mol
LogP5.35
Rot. Bonds6

About 4-[4-(difluoromethyl)phenyl]-1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]piperidine

4-[4-(difluoromethyl)phenyl]-1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]piperidine (PubChem CID 156560675) has the molecular formula C24H27F2NO2 and a molecular weight of 399.48 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)phenyl]-1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]piperidine.

Molecular Properties

Compound Name4-[4-(difluoromethyl)phenyl]-1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]piperidine
PubChem CID156560675
Molecular FormulaC24H27F2NO2
Molecular Weight399.48 g/mol
Exact Mass399.20
IUPAC Name4-[4-(difluoromethyl)phenyl]-1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]piperidine
SMILESC=C(c1ccc(C2(OC)COC2)cc1)N1CCC(c2ccc(C(F)F)cc2)CC1
InChIInChI=1S/C24H27F2NO2/c1-17(18-7-9-22(10-8-18)24(28-2)15-29-16-24)27-13-11-20(12-14-27)19-3-5-21(6-4-19)23(25)26/h3-10,20,23H,1,11-16H2,2H3
InChIKeyVHJZAMJAHYKUEJ-UHFFFAOYSA-N
XLogP5.35
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.48
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)phenyl]-1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]piperidine?
The IUPAC name of 4-[4-(difluoromethyl)phenyl]-1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]piperidine (CID 156560675) is 4-[4-(difluoromethyl)phenyl]-1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]piperidine.
What is the SMILES notation for 4-[4-(difluoromethyl)phenyl]-1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]piperidine?
The canonical SMILES for 4-[4-(difluoromethyl)phenyl]-1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]piperidine is C=C(c1ccc(C2(OC)COC2)cc1)N1CCC(c2ccc(C(F)F)cc2)CC1.
What is the InChIKey of 4-[4-(difluoromethyl)phenyl]-1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]piperidine?
The InChIKey is VHJZAMJAHYKUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2NO2/c1-17(18-7-9-22(10-8-18)24(28-2)15-29-16-24)27-13-11-20(12-14-27)19-3-5-21(6-4-19)23(25)26/h3-10,20,23H,1,11-16H2,2H3.
What are the key properties of 4-[4-(difluoromethyl)phenyl]-1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]piperidine?
4-[4-(difluoromethyl)phenyl]-1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]piperidine has a molecular weight of 399.48 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)phenyl]-1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]piperidine is sourced from PubChem (CID 156560675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).