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

C11H19F3N2O3 — CID 172777636

IUPAC2-methyl-1-[(2S)-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-;/m0./s1
InChIKeyNUXUGTMBLDOMFK-QRPNPIFTSA-N
MW284.28 g/mol
LogP1.10
Rot. Bonds1

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

2-methyl-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid (PubChem CID 172777636) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-methyl-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methyl-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
PubChem CID172777636
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-methyl-1-[(2S)-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-;/m0./s1
InChIKeyNUXUGTMBLDOMFK-QRPNPIFTSA-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

Analyze 2-methyl-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoroacetic acid;(2S)-N,N,2-trimethylpiperazine-1-carboxamide
CID 175748741
(2R)-2-methyl-1-propan-2-ylpiperazine;2,2,2-trifluoroacetic acid
CID 135347784
2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128920292
(2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128923025
2-methyl-1-(7-methyl-1,4-diazepan-1-yl)propan-1-one
CID 82240969
2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 62672063
(2R)-1-ethyl-2-methylpiperazine;2,2,2-trifluoroacetic acid
CID 146455396
2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 82756442
2-methyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one
CID 82241180
2-methyl-1-propylpiperazine;2,2,2-trifluoroacetic acid
CID 174972322
(2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 82756259
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methyl-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid (CID 172777636) is 2-methyl-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methyl-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methyl-1-[(2S)-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-[(2S)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid?
The InChIKey is NUXUGTMBLDOMFK-QRPNPIFTSA-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-;/m0./s1.
What are the key properties of 2-methyl-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid?
2-methyl-1-[(2S)-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-[(2S)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172777636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).