2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]-1-piperazin-1-ylethanone

C10H18F3N3O2 — CID 63902327

IUPAC2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)CC(O)C(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c1-15(6-8(17)10(11,12)13)7-9(18)16-4-2-14-3-5-16/h8,14,17H,2-7H2,1H3
InChIKeyGLQIZNIYCMRNBS-UHFFFAOYSA-N
MW269.27 g/mol
LogP-0.73
Rot. Bonds4

About 2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]-1-piperazin-1-ylethanone

2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]-1-piperazin-1-ylethanone (PubChem CID 63902327) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]-1-piperazin-1-ylethanone
PubChem CID63902327
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)CC(O)C(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c1-15(6-8(17)10(11,12)13)7-9(18)16-4-2-14-3-5-16/h8,14,17H,2-7H2,1H3
InChIKeyGLQIZNIYCMRNBS-UHFFFAOYSA-N
XLogP-0.73
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]-1-piperazin-1-ylethanone (CID 63902327) is 2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]-1-piperazin-1-ylethanone is CN(CC(=O)N1CCNCC1)CC(O)C(F)(F)F.
What is the InChIKey of 2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]-1-piperazin-1-ylethanone?
The InChIKey is GLQIZNIYCMRNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c1-15(6-8(17)10(11,12)13)7-9(18)16-4-2-14-3-5-16/h8,14,17H,2-7H2,1H3.
What are the key properties of 2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]-1-piperazin-1-ylethanone?
2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]-1-piperazin-1-ylethanone has a molecular weight of 269.27 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 63902327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).