1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one

C17H22F2N2O3 — CID 45193013

IUPAC1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one
SMILESO=C1N(Cc2cccc(F)c2F)CCCC1(O)CN1CCOCC1
InChIInChI=1S/C17H22F2N2O3/c18-14-4-1-3-13(15(14)19)11-21-6-2-5-17(23,16(21)22)12-20-7-9-24-10-8-20/h1,3-4,23H,2,5-12H2
InChIKeyGSXYOKNCEPHFDZ-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.15
Rot. Bonds4

About 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one

1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one (PubChem CID 45193013) has the molecular formula C17H22F2N2O3 and a molecular weight of 340.37 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one
PubChem CID45193013
Molecular FormulaC17H22F2N2O3
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC Name1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one
SMILESO=C1N(Cc2cccc(F)c2F)CCCC1(O)CN1CCOCC1
InChIInChI=1S/C17H22F2N2O3/c18-14-4-1-3-13(15(14)19)11-21-6-2-5-17(23,16(21)22)12-20-7-9-24-10-8-20/h1,3-4,23H,2,5-12H2
InChIKeyGSXYOKNCEPHFDZ-UHFFFAOYSA-N
XLogP1.15
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one (CID 45193013) is 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one is O=C1N(Cc2cccc(F)c2F)CCCC1(O)CN1CCOCC1.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one?
The InChIKey is GSXYOKNCEPHFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O3/c18-14-4-1-3-13(15(14)19)11-21-6-2-5-17(23,16(21)22)12-20-7-9-24-10-8-20/h1,3-4,23H,2,5-12H2.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one?
1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one has a molecular weight of 340.37 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one is sourced from PubChem (CID 45193013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).