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

C14H22F2N4O — CID 58228246

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)ethanamine
SMILESCC(C)Oc1ncc(C(CN)N2CCC(F)(F)CC2)cn1
InChIInChI=1S/C14H22F2N4O/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,3-7,17H2,1-2H3
InChIKeyIMDMIHSSOYSARP-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.99
Rot. Bonds5

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

2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)ethanamine (PubChem CID 58228246) has the molecular formula C14H22F2N4O and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)ethanamine
PubChem CID58228246
Molecular FormulaC14H22F2N4O
Molecular Weight300.35 g/mol
Exact Mass300.18
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)ethanamine
SMILESCC(C)Oc1ncc(C(CN)N2CCC(F)(F)CC2)cn1
InChIInChI=1S/C14H22F2N4O/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,3-7,17H2,1-2H3
InChIKeyIMDMIHSSOYSARP-UHFFFAOYSA-N
XLogP1.99
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)ethanamine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)ethanamine (CID 58228246) is 2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)ethanamine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)ethanamine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)ethanamine is CC(C)Oc1ncc(C(CN)N2CCC(F)(F)CC2)cn1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)ethanamine?
The InChIKey is IMDMIHSSOYSARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4O/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,3-7,17H2,1-2H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)ethanamine?
2-(4,4-difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)ethanamine has a molecular weight of 300.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 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)ethanamine is sourced from PubChem (CID 58228246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).