2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C12H22F3N3O2 — CID 56802200

IUPAC2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(O)CN1CCN(CC(=O)NCC(F)(F)F)CC1C
InChIInChI=1S/C12H22F3N3O2/c1-9-5-17(3-4-18(9)6-10(2)19)7-11(20)16-8-12(13,14)15/h9-10,19H,3-8H2,1-2H3,(H,16,20)
InChIKeyGQDBNXNPKKRQBF-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.05
Rot. Bonds5

About 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 56802200) has the molecular formula C12H22F3N3O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID56802200
Molecular FormulaC12H22F3N3O2
Molecular Weight297.32 g/mol
Exact Mass297.17
IUPAC Name2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(O)CN1CCN(CC(=O)NCC(F)(F)F)CC1C
InChIInChI=1S/C12H22F3N3O2/c1-9-5-17(3-4-18(9)6-10(2)19)7-11(20)16-8-12(13,14)15/h9-10,19H,3-8H2,1-2H3,(H,16,20)
InChIKeyGQDBNXNPKKRQBF-UHFFFAOYSA-N
XLogP0.05
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 56802200) is 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CC(O)CN1CCN(CC(=O)NCC(F)(F)F)CC1C.
What is the InChIKey of 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GQDBNXNPKKRQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O2/c1-9-5-17(3-4-18(9)6-10(2)19)7-11(20)16-8-12(13,14)15/h9-10,19H,3-8H2,1-2H3,(H,16,20).
What are the key properties of 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 297.32 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 56802200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).