2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)acetonitrile

C15H19F2N5O — CID 58228171

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)acetonitrile
SMILESN#CC(c1cnc(N2CCOCC2)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H19F2N5O/c16-15(17)1-3-21(4-2-15)13(9-18)12-10-19-14(20-11-12)22-5-7-23-8-6-22/h10-11,13H,1-8H2
InChIKeyDSNPBRWRKYIHSG-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.61
Rot. Bonds3

About 2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)acetonitrile

2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)acetonitrile (PubChem CID 58228171) has the molecular formula C15H19F2N5O and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)acetonitrile
PubChem CID58228171
Molecular FormulaC15H19F2N5O
Molecular Weight323.35 g/mol
Exact Mass323.16
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)acetonitrile
SMILESN#CC(c1cnc(N2CCOCC2)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H19F2N5O/c16-15(17)1-3-21(4-2-15)13(9-18)12-10-19-14(20-11-12)22-5-7-23-8-6-22/h10-11,13H,1-8H2
InChIKeyDSNPBRWRKYIHSG-UHFFFAOYSA-N
XLogP1.61
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)acetonitrile?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)acetonitrile (CID 58228171) is 2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)acetonitrile.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)acetonitrile?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)acetonitrile is N#CC(c1cnc(N2CCOCC2)nc1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)acetonitrile?
The InChIKey is DSNPBRWRKYIHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N5O/c16-15(17)1-3-21(4-2-15)13(9-18)12-10-19-14(20-11-12)22-5-7-23-8-6-22/h10-11,13H,1-8H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)acetonitrile?
2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)acetonitrile has a molecular weight of 323.35 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)acetonitrile is sourced from PubChem (CID 58228171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).