2-methyl-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid

C11H19F3N2O3 — CID 172777635

IUPAC2-methyl-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
SMILESCC(C)C(=O)N1CCNC[C@H]1C.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-7(2)9(12)11-5-4-10-6-8(11)3;3-2(4,5)1(6)7/h7-8,10H,4-6H2,1-3H3;(H,6,7)/t8-;/m1./s1
InChIKeyNUXUGTMBLDOMFK-DDWIOCJRSA-N
MW284.28 g/mol
LogP1.10
Rot. Bonds1

About 2-methyl-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid

2-methyl-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid (PubChem CID 172777635) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-methyl-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methyl-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
PubChem CID172777635
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-methyl-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
SMILESCC(C)C(=O)N1CCNC[C@H]1C.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-7(2)9(12)11-5-4-10-6-8(11)3;3-2(4,5)1(6)7/h7-8,10H,4-6H2,1-3H3;(H,6,7)/t8-;/m1./s1
InChIKeyNUXUGTMBLDOMFK-DDWIOCJRSA-N
XLogP1.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methyl-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid (CID 172777635) is 2-methyl-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methyl-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methyl-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid is CC(C)C(=O)N1CCNC[C@H]1C.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methyl-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid?
The InChIKey is NUXUGTMBLDOMFK-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H18N2O.C2HF3O2/c1-7(2)9(12)11-5-4-10-6-8(11)3;3-2(4,5)1(6)7/h7-8,10H,4-6H2,1-3H3;(H,6,7)/t8-;/m1./s1.
What are the key properties of 2-methyl-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid?
2-methyl-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid has a molecular weight of 284.28 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172777635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).