2-(4,4-difluoropiperidin-1-yl)-2-(2-methoxypyrimidin-5-yl)ethanamine

C12H18F2N4O — CID 58228274

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-(2-methoxypyrimidin-5-yl)ethanamine
SMILESCOc1ncc(C(CN)N2CCC(F)(F)CC2)cn1
InChIInChI=1S/C12H18F2N4O/c1-19-11-16-7-9(8-17-11)10(6-15)18-4-2-12(13,14)3-5-18/h7-8,10H,2-6,15H2,1H3
InChIKeyHGUGZJBPWXWHJQ-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.22
Rot. Bonds4

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

2-(4,4-difluoropiperidin-1-yl)-2-(2-methoxypyrimidin-5-yl)ethanamine (PubChem CID 58228274) has the molecular formula C12H18F2N4O and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(2-methoxypyrimidin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-(2-methoxypyrimidin-5-yl)ethanamine
PubChem CID58228274
Molecular FormulaC12H18F2N4O
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-(2-methoxypyrimidin-5-yl)ethanamine
SMILESCOc1ncc(C(CN)N2CCC(F)(F)CC2)cn1
InChIInChI=1S/C12H18F2N4O/c1-19-11-16-7-9(8-17-11)10(6-15)18-4-2-12(13,14)3-5-18/h7-8,10H,2-6,15H2,1H3
InChIKeyHGUGZJBPWXWHJQ-UHFFFAOYSA-N
XLogP1.22
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.22
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-methoxypyrimidin-5-yl)ethanamine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(2-methoxypyrimidin-5-yl)ethanamine (CID 58228274) is 2-(4,4-difluoropiperidin-1-yl)-2-(2-methoxypyrimidin-5-yl)ethanamine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(2-methoxypyrimidin-5-yl)ethanamine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(2-methoxypyrimidin-5-yl)ethanamine is COc1ncc(C(CN)N2CCC(F)(F)CC2)cn1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-(2-methoxypyrimidin-5-yl)ethanamine?
The InChIKey is HGUGZJBPWXWHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4O/c1-19-11-16-7-9(8-17-11)10(6-15)18-4-2-12(13,14)3-5-18/h7-8,10H,2-6,15H2,1H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(2-methoxypyrimidin-5-yl)ethanamine?
2-(4,4-difluoropiperidin-1-yl)-2-(2-methoxypyrimidin-5-yl)ethanamine has a molecular weight of 272.30 g/mol, XLogP of 1.22, 4 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-methoxypyrimidin-5-yl)ethanamine is sourced from PubChem (CID 58228274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).