1-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one

C21H23F2NO2 — CID 46028881

IUPAC1-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCCC(OCc2ccc(F)c(F)c2)C1
InChIInChI=1S/C21H23F2NO2/c22-19-10-8-17(13-20(19)23)15-26-18-7-4-12-24(14-18)21(25)11-9-16-5-2-1-3-6-16/h1-3,5-6,8,10,13,18H,4,7,9,11-12,14-15H2
InChIKeyJMLIQEYRYWLHCX-UHFFFAOYSA-N
MW359.42 g/mol
LogP4.11
Rot. Bonds6

About 1-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one

1-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 46028881) has the molecular formula C21H23F2NO2 and a molecular weight of 359.42 g/mol. Its IUPAC name is 1-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID46028881
Molecular FormulaC21H23F2NO2
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name1-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCCC(OCc2ccc(F)c(F)c2)C1
InChIInChI=1S/C21H23F2NO2/c22-19-10-8-17(13-20(19)23)15-26-18-7-4-12-24(14-18)21(25)11-9-16-5-2-1-3-6-16/h1-3,5-6,8,10,13,18H,4,7,9,11-12,14-15H2
InChIKeyJMLIQEYRYWLHCX-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-{2-[Bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-3-phenylpropan-2-one
CID 20443023
(4R,5S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)-1-methylazepan-2-one
CID 44412159
1-(4-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidine-1-carbonyl)piperidin-1-yl)ethanone
CID 44444643
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide
CID 2870138
N-(2-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-ethyl)-2-(4-fluoro-phenyl)-acetamide
CID 9980795
N-(3-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-propyl)-2-phenyl-acetamide
CID 10575012
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-phenethyl-piperazin-2-one
CID 10575547
N-(2-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-ethyl)-2-phenyl-acetamide
CID 10788455
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide
CID 2969719
(2-Fluorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 4963714
Decanoic acid 3-(4-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-yl)-1-phenyl-propyl ester
CID 9960697
N-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-3-phenylpropanamide
CID 10765459

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one (CID 46028881) is 1-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCCC(OCc2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is JMLIQEYRYWLHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO2/c22-19-10-8-17(13-20(19)23)15-26-18-7-4-12-24(14-18)21(25)11-9-16-5-2-1-3-6-16/h1-3,5-6,8,10,13,18H,4,7,9,11-12,14-15H2.
What are the key properties of 1-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one?
1-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 359.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 46028881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).