1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one

C17H24F2N2O2 — CID 45184164

IUPAC1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one
SMILESCC(C)N(C)CC1(O)CCCN(Cc2cccc(F)c2F)C1=O
InChIInChI=1S/C17H24F2N2O2/c1-12(2)20(3)11-17(23)8-5-9-21(16(17)22)10-13-6-4-7-14(18)15(13)19/h4,6-7,12,23H,5,8-11H2,1-3H3
InChIKeyBYSDWQQWWFOEBY-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.16
Rot. Bonds5

About 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one

1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one (PubChem CID 45184164) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one
PubChem CID45184164
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one
SMILESCC(C)N(C)CC1(O)CCCN(Cc2cccc(F)c2F)C1=O
InChIInChI=1S/C17H24F2N2O2/c1-12(2)20(3)11-17(23)8-5-9-21(16(17)22)10-13-6-4-7-14(18)15(13)19/h4,6-7,12,23H,5,8-11H2,1-3H3
InChIKeyBYSDWQQWWFOEBY-UHFFFAOYSA-N
XLogP2.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one (CID 45184164) is 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one is CC(C)N(C)CC1(O)CCCN(Cc2cccc(F)c2F)C1=O.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one?
The InChIKey is BYSDWQQWWFOEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-12(2)20(3)11-17(23)8-5-9-21(16(17)22)10-13-6-4-7-14(18)15(13)19/h4,6-7,12,23H,5,8-11H2,1-3H3.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one?
1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one has a molecular weight of 326.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one is sourced from PubChem (CID 45184164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).