2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)acetonitrile

C14H18F2N4O — CID 58228435

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)acetonitrile
SMILESCC(C)Oc1ncc(C(C#N)N2CCC(F)(F)CC2)cn1
InChIInChI=1S/C14H18F2N4O/c1-10(2)21-13-18-8-11(9-19-13)12(7-17)20-5-3-14(15,16)4-6-20/h8-10,12H,3-6H2,1-2H3
InChIKeyYSCQTBNYWYNVKE-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.56
Rot. Bonds4

About 2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)acetonitrile

2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)acetonitrile (PubChem CID 58228435) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)acetonitrile
PubChem CID58228435
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)acetonitrile
SMILESCC(C)Oc1ncc(C(C#N)N2CCC(F)(F)CC2)cn1
InChIInChI=1S/C14H18F2N4O/c1-10(2)21-13-18-8-11(9-19-13)12(7-17)20-5-3-14(15,16)4-6-20/h8-10,12H,3-6H2,1-2H3
InChIKeyYSCQTBNYWYNVKE-UHFFFAOYSA-N
XLogP2.56
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-ol
CID 57708368
2-(2-Aminopyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile
CID 58227867
2-[2-(Cyclopropylmethoxy)pyrimidin-5-yl]-2-(4,4-difluoropiperidin-1-yl)acetonitrile
CID 58227881
2-(3-Methoxypiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 58227982
2-(4,4-Difluoropiperidin-1-yl)-2-(2-propan-2-ylpyrimidin-5-yl)acetonitrile
CID 58227999
2-(4,4-Difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)acetonitrile
CID 58228103
2-(4,4-Difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)acetonitrile
CID 58228171
2-(2-Cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine
CID 58228182
2-(4,4-Difluoropiperidin-1-yl)-2-(2-ethylpyrimidin-5-yl)acetonitrile
CID 58228193
2-(4,4-Difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)ethanamine
CID 58228246
2-(4,4-Difluoropiperidin-1-yl)-2-(2-methoxypyrimidin-5-yl)ethanamine
CID 58228274
2-(2-Cyclobutyloxypyrimidin-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile
CID 58228281

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)acetonitrile?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)acetonitrile (CID 58228435) is 2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)acetonitrile.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)acetonitrile?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)acetonitrile is CC(C)Oc1ncc(C(C#N)N2CCC(F)(F)CC2)cn1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)acetonitrile?
The InChIKey is YSCQTBNYWYNVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O/c1-10(2)21-13-18-8-11(9-19-13)12(7-17)20-5-3-14(15,16)4-6-20/h8-10,12H,3-6H2,1-2H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)acetonitrile?
2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)acetonitrile has a molecular weight of 296.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)acetonitrile is sourced from PubChem (CID 58228435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).