1-[3-[(2,3-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one

C21H23F2NO2 — CID 46028964

IUPAC1-[3-[(2,3-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCCC(OCc2cccc(F)c2F)C1
InChIInChI=1S/C21H23F2NO2/c22-19-10-4-8-17(21(19)23)15-26-18-9-5-13-24(14-18)20(25)12-11-16-6-2-1-3-7-16/h1-4,6-8,10,18H,5,9,11-15H2
InChIKeyBRGDEJXVXCORER-UHFFFAOYSA-N
MW359.42 g/mol
LogP4.11
Rot. Bonds6

About 1-[3-[(2,3-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one

1-[3-[(2,3-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 46028964) has the molecular formula C21H23F2NO2 and a molecular weight of 359.42 g/mol. Its IUPAC name is 1-[3-[(2,3-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[3-[(2,3-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID46028964
Molecular FormulaC21H23F2NO2
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name1-[3-[(2,3-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCCC(OCc2cccc(F)c2F)C1
InChIInChI=1S/C21H23F2NO2/c22-19-10-4-8-17(21(19)23)15-26-18-9-5-13-24(14-18)20(25)12-11-16-6-2-1-3-7-16/h1-4,6-8,10,18H,5,9,11-15H2
InChIKeyBRGDEJXVXCORER-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-[(2,3-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[3-[(2,3-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one (CID 46028964) is 1-[3-[(2,3-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[3-[(2,3-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[3-[(2,3-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCCC(OCc2cccc(F)c2F)C1.
What is the InChIKey of 1-[3-[(2,3-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is BRGDEJXVXCORER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO2/c22-19-10-4-8-17(21(19)23)15-26-18-9-5-13-24(14-18)20(25)12-11-16-6-2-1-3-7-16/h1-4,6-8,10,18H,5,9,11-15H2.
What are the key properties of 1-[3-[(2,3-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one?
1-[3-[(2,3-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-[(2,3-difluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 46028964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).