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

C12H18F2N4 — CID 58228007

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)ethanamine
SMILESCc1ncc(C(CN)N2CCC(F)(F)CC2)cn1
InChIInChI=1S/C12H18F2N4/c1-9-16-7-10(8-17-9)11(6-15)18-4-2-12(13,14)3-5-18/h7-8,11H,2-6,15H2,1H3
InChIKeyOPRCKVDWIXHYHZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.52
Rot. Bonds3

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

2-(4,4-difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)ethanamine (PubChem CID 58228007) has the molecular formula C12H18F2N4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)ethanamine
PubChem CID58228007
Molecular FormulaC12H18F2N4
Molecular Weight256.30 g/mol
Exact Mass256.15
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)ethanamine
SMILESCc1ncc(C(CN)N2CCC(F)(F)CC2)cn1
InChIInChI=1S/C12H18F2N4/c1-9-16-7-10(8-17-9)11(6-15)18-4-2-12(13,14)3-5-18/h7-8,11H,2-6,15H2,1H3
InChIKeyOPRCKVDWIXHYHZ-UHFFFAOYSA-N
XLogP1.52
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)ethanamine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)ethanamine (CID 58228007) is 2-(4,4-difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)ethanamine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)ethanamine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)ethanamine is Cc1ncc(C(CN)N2CCC(F)(F)CC2)cn1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)ethanamine?
The InChIKey is OPRCKVDWIXHYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4/c1-9-16-7-10(8-17-9)11(6-15)18-4-2-12(13,14)3-5-18/h7-8,11H,2-6,15H2,1H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)ethanamine?
2-(4,4-difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)ethanamine has a molecular weight of 256.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-2-(2-methylpyrimidin-5-yl)ethanamine is sourced from PubChem (CID 58228007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).