1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one

C18H24F2N2O2 — CID 45188113

IUPAC1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one
SMILESO=C1N(Cc2cccc(F)c2F)CCCC1(O)CN1CCCCC1
InChIInChI=1S/C18H24F2N2O2/c19-15-7-4-6-14(16(15)20)12-22-11-5-8-18(24,17(22)23)13-21-9-2-1-3-10-21/h4,6-7,24H,1-3,5,8-13H2
InChIKeyYIFAUOAKNDTPAD-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.30
Rot. Bonds4

About 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one

1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one (PubChem CID 45188113) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one
PubChem CID45188113
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one
SMILESO=C1N(Cc2cccc(F)c2F)CCCC1(O)CN1CCCCC1
InChIInChI=1S/C18H24F2N2O2/c19-15-7-4-6-14(16(15)20)12-22-11-5-8-18(24,17(22)23)13-21-9-2-1-3-10-21/h4,6-7,24H,1-3,5,8-13H2
InChIKeyYIFAUOAKNDTPAD-UHFFFAOYSA-N
XLogP2.30
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.30
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-(piperidin-1-ylmethyl)piperidin-2-one?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one (CID 45188113) is 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one is O=C1N(Cc2cccc(F)c2F)CCCC1(O)CN1CCCCC1.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one?
The InChIKey is YIFAUOAKNDTPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c19-15-7-4-6-14(16(15)20)12-22-11-5-8-18(24,17(22)23)13-21-9-2-1-3-10-21/h4,6-7,24H,1-3,5,8-13H2.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one?
1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one has a molecular weight of 338.40 g/mol, XLogP of 2.30, 4 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-(piperidin-1-ylmethyl)piperidin-2-one is sourced from PubChem (CID 45188113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).