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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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).