ethyl 2,2-difluoro-2-[4-hydroxy-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate

C14H19F2N3O3 — CID 146142464

IUPACethyl 2,2-difluoro-2-[4-hydroxy-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate
SMILESCCOC(=O)C(F)(F)C1(O)CCN(c2ncc(C)cn2)CC1
InChIInChI=1S/C14H19F2N3O3/c1-3-22-11(20)14(15,16)13(21)4-6-19(7-5-13)12-17-8-10(2)9-18-12/h8-9,21H,3-7H2,1-2H3
InChIKeyOWFHYYACUTURTH-UHFFFAOYSA-N
MW315.32 g/mol
LogP1.31
Rot. Bonds4

About ethyl 2,2-difluoro-2-[4-hydroxy-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate

ethyl 2,2-difluoro-2-[4-hydroxy-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate (PubChem CID 146142464) has the molecular formula C14H19F2N3O3 and a molecular weight of 315.32 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-[4-hydroxy-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-[4-hydroxy-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate
PubChem CID146142464
Molecular FormulaC14H19F2N3O3
Molecular Weight315.32 g/mol
Exact Mass315.14
IUPAC Nameethyl 2,2-difluoro-2-[4-hydroxy-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate
SMILESCCOC(=O)C(F)(F)C1(O)CCN(c2ncc(C)cn2)CC1
InChIInChI=1S/C14H19F2N3O3/c1-3-22-11(20)14(15,16)13(21)4-6-19(7-5-13)12-17-8-10(2)9-18-12/h8-9,21H,3-7H2,1-2H3
InChIKeyOWFHYYACUTURTH-UHFFFAOYSA-N
XLogP1.31
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-[4-hydroxy-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate?
The IUPAC name of ethyl 2,2-difluoro-2-[4-hydroxy-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate (CID 146142464) is ethyl 2,2-difluoro-2-[4-hydroxy-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-[4-hydroxy-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-[4-hydroxy-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate is CCOC(=O)C(F)(F)C1(O)CCN(c2ncc(C)cn2)CC1.
What is the InChIKey of ethyl 2,2-difluoro-2-[4-hydroxy-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate?
The InChIKey is OWFHYYACUTURTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O3/c1-3-22-11(20)14(15,16)13(21)4-6-19(7-5-13)12-17-8-10(2)9-18-12/h8-9,21H,3-7H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-2-[4-hydroxy-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate?
ethyl 2,2-difluoro-2-[4-hydroxy-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate has a molecular weight of 315.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-[4-hydroxy-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]acetate is sourced from PubChem (CID 146142464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).