3-methoxy-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid

C10H17F3N2O4 — CID 172706703

IUPAC3-methoxy-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid
SMILESCOCCC(=O)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O2.C2HF3O2/c1-12-7-2-8(11)10-5-3-9-4-6-10;3-2(4,5)1(6)7/h9H,2-7H2,1H3;(H,6,7)
InChIKeyDRIBDPFWIPCHDZ-UHFFFAOYSA-N
MW286.25 g/mol
LogP0.09
Rot. Bonds3

About 3-methoxy-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid

3-methoxy-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid (PubChem CID 172706703) has the molecular formula C10H17F3N2O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is 3-methoxy-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-methoxy-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid
PubChem CID172706703
Molecular FormulaC10H17F3N2O4
Molecular Weight286.25 g/mol
Exact Mass286.11
IUPAC Name3-methoxy-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid
SMILESCOCCC(=O)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O2.C2HF3O2/c1-12-7-2-8(11)10-5-3-9-4-6-10;3-2(4,5)1(6)7/h9H,2-7H2,1H3;(H,6,7)
InChIKeyDRIBDPFWIPCHDZ-UHFFFAOYSA-N
XLogP0.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Dimethyl-1-(piperazin-1-yl)propan-1-one; trifluoroacetic acid
CID 154577427
butyl 4-[(2S)-2-amino-3-hydroxypropanoyl]piperazine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 66651433
Piperazine-1-carboxylic acid butyl ester trifluoroacetate
CID 66854479
Propyl piperazine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 66855426
(3S)-N,N-dimethylmorpholine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 67429832
ethyl 4-[(2R)-2-amino-3-fluoropropanoyl]piperazine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 68598102
2,2-Difluoro-3-methoxy-1-piperazin-1-ylpropan-1-one
CID 121299282
4-(2,2-Difluoro-3-methoxypropanoyl)piperazine-1-carboxylic acid
CID 142714991
[1-(3-Methoxypropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate
CID 145440273
(2R)-2-amino-3-fluoro-1-piperazin-1-ylpropan-1-one;ethyl formate;2,2,2-trifluoroacetic acid
CID 160075819
2-[3-[Bis[2-(methylamino)ethyl]amino]-3-oxopropoxy]ethylcarbamic acid;2,2,2-trifluoroacetic acid
CID 170353810
1-(3-Methoxypropyl)piperazin-2-one;2,2,2-trifluoroacetic acid
CID 172797562

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-methoxy-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid (CID 172706703) is 3-methoxy-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-methoxy-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-methoxy-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid is COCCC(=O)N1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-methoxy-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid?
The InChIKey is DRIBDPFWIPCHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.C2HF3O2/c1-12-7-2-8(11)10-5-3-9-4-6-10;3-2(4,5)1(6)7/h9H,2-7H2,1H3;(H,6,7).
What are the key properties of 3-methoxy-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid?
3-methoxy-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid has a molecular weight of 286.25 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172706703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).