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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Related Compounds

1-Benzyl-4-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine
CID 69668586
1-[[4-[(2S)-2,3-dihydro-1,4-dioxin-2-yl]phenyl]methyl]-4-fluoropiperidine
CID 89713065
4-[(4-Fluorophenyl)methyl]-1-[[4-(hexa-1,3,5-trien-2-yloxymethyl)phenyl]methyl]piperidine
CID 123739883
(3S,6R)-2-[[2,5-difluoro-4-(3-prop-2-enoxyoxetan-3-yl)phenyl]methyl]-3-methyl-6-phenylthiazinane
CID 124188717
1-[[4-[4-(Cyclopentyloxymethyl)phenyl]phenyl]methyl]-3,3-difluoropiperidine
CID 126671441
1-[[4-[4-(Cyclopentyloxymethyl)-3-fluorophenyl]phenyl]methyl]-3,5-dimethyl-4-propylpiperidine
CID 126674712
1-[[4-[4-(Cyclopentyloxymethyl)-3-(trifluoromethyl)phenyl]phenyl]methyl]-4-propylpiperidine
CID 126675326
(3S)-3-[[4-[(2S)-3,3-dimethylbutan-2-yl]phenyl]methyl]-1-[(2-fluorophenyl)-methoxymethyl]piperidine
CID 129034922
1-[1-[2-(2,2-Difluoroethyl)phenyl]ethenyl]-4-ethyl-4-[[2-(propan-2-yloxymethyl)phenyl]methyl]piperidine
CID 130371426
1-[3-(4,4-Difluorocyclohexyl)prop-1-en-2-yl]-4-[[2-[2-[4-(1-methoxyethenyl)phenyl]ethyl]phenyl]methyl]piperazine
CID 138460044
1-(1-Ethoxyethenyl)-4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]phenyl]methyl]piperazine
CID 144478324
(3S)-2-[[2,5-difluoro-4-(3-prop-2-enoxyoxetan-3-yl)phenyl]methyl]-6-[(2E,4Z)-hepta-2,4-dien-3-yl]-3-methylthiazinane
CID 145227103

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).