5-[3-(2,2-difluoroethyl)piperazin-1-yl]-4-methoxypyridin-2-amine

C12H18F2N4O — CID 139424789

IUPAC5-[3-(2,2-difluoroethyl)piperazin-1-yl]-4-methoxypyridin-2-amine
SMILESCOc1cc(N)ncc1N1CCNC(CC(F)F)C1
InChIInChI=1S/C12H18F2N4O/c1-19-10-5-12(15)17-6-9(10)18-3-2-16-8(7-18)4-11(13)14/h5-6,8,11,16H,2-4,7H2,1H3,(H2,15,17)
InChIKeyABUOSDCALJMEFP-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.11
Rot. Bonds4

About 5-[3-(2,2-difluoroethyl)piperazin-1-yl]-4-methoxypyridin-2-amine

5-[3-(2,2-difluoroethyl)piperazin-1-yl]-4-methoxypyridin-2-amine (PubChem CID 139424789) has the molecular formula C12H18F2N4O and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-[3-(2,2-difluoroethyl)piperazin-1-yl]-4-methoxypyridin-2-amine.

Molecular Properties

Compound Name5-[3-(2,2-difluoroethyl)piperazin-1-yl]-4-methoxypyridin-2-amine
PubChem CID139424789
Molecular FormulaC12H18F2N4O
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name5-[3-(2,2-difluoroethyl)piperazin-1-yl]-4-methoxypyridin-2-amine
SMILESCOc1cc(N)ncc1N1CCNC(CC(F)F)C1
InChIInChI=1S/C12H18F2N4O/c1-19-10-5-12(15)17-6-9(10)18-3-2-16-8(7-18)4-11(13)14/h5-6,8,11,16H,2-4,7H2,1H3,(H2,15,17)
InChIKeyABUOSDCALJMEFP-UHFFFAOYSA-N
XLogP1.11
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2-difluoroethyl)piperazin-1-yl]-4-methoxypyridin-2-amine?
The IUPAC name of 5-[3-(2,2-difluoroethyl)piperazin-1-yl]-4-methoxypyridin-2-amine (CID 139424789) is 5-[3-(2,2-difluoroethyl)piperazin-1-yl]-4-methoxypyridin-2-amine.
What is the SMILES notation for 5-[3-(2,2-difluoroethyl)piperazin-1-yl]-4-methoxypyridin-2-amine?
The canonical SMILES for 5-[3-(2,2-difluoroethyl)piperazin-1-yl]-4-methoxypyridin-2-amine is COc1cc(N)ncc1N1CCNC(CC(F)F)C1.
What is the InChIKey of 5-[3-(2,2-difluoroethyl)piperazin-1-yl]-4-methoxypyridin-2-amine?
The InChIKey is ABUOSDCALJMEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4O/c1-19-10-5-12(15)17-6-9(10)18-3-2-16-8(7-18)4-11(13)14/h5-6,8,11,16H,2-4,7H2,1H3,(H2,15,17).
What are the key properties of 5-[3-(2,2-difluoroethyl)piperazin-1-yl]-4-methoxypyridin-2-amine?
5-[3-(2,2-difluoroethyl)piperazin-1-yl]-4-methoxypyridin-2-amine has a molecular weight of 272.30 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,2-difluoroethyl)piperazin-1-yl]-4-methoxypyridin-2-amine is sourced from PubChem (CID 139424789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).