1-[4-(2-fluoroethyl)piperazin-1-yl]-2-(methylamino)ethanone

C9H18FN3O — CID 121201948

IUPAC1-[4-(2-fluoroethyl)piperazin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCN(CCF)CC1
InChIInChI=1S/C9H18FN3O/c1-11-8-9(14)13-6-4-12(3-2-10)5-7-13/h11H,2-8H2,1H3
InChIKeyNQFMYTYGVDRMMK-UHFFFAOYSA-N
MW203.26 g/mol
LogP-0.68
Rot. Bonds4

About 1-[4-(2-fluoroethyl)piperazin-1-yl]-2-(methylamino)ethanone

1-[4-(2-fluoroethyl)piperazin-1-yl]-2-(methylamino)ethanone (PubChem CID 121201948) has the molecular formula C9H18FN3O and a molecular weight of 203.26 g/mol. Its IUPAC name is 1-[4-(2-fluoroethyl)piperazin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-(2-fluoroethyl)piperazin-1-yl]-2-(methylamino)ethanone
PubChem CID121201948
Molecular FormulaC9H18FN3O
Molecular Weight203.26 g/mol
Exact Mass203.14
IUPAC Name1-[4-(2-fluoroethyl)piperazin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCN(CCF)CC1
InChIInChI=1S/C9H18FN3O/c1-11-8-9(14)13-6-4-12(3-2-10)5-7-13/h11H,2-8H2,1H3
InChIKeyNQFMYTYGVDRMMK-UHFFFAOYSA-N
XLogP-0.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2-(methylamino)ethanone
CID 24706244
2-(methylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 61260523
1-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704458
ethane;7-[4-[2-(methylamino)acetyl]piperazin-1-yl]heptan-3-one
CID 169190267
1-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;dihydrochloride
CID 119869077
3-chloro-1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-one
CID 121201944
2-ethoxy-1-[4-(2-fluoroethyl)piperazin-1-yl]ethanone
CID 119104737
2-amino-1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-one
CID 59935068
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 60947029
2,2-dimethyl-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]propan-1-one
CID 83634925
ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate
CID 54773405
N-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide
CID 120703373

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoroethyl)piperazin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-(2-fluoroethyl)piperazin-1-yl]-2-(methylamino)ethanone (CID 121201948) is 1-[4-(2-fluoroethyl)piperazin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-(2-fluoroethyl)piperazin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-(2-fluoroethyl)piperazin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCN(CCF)CC1.
What is the InChIKey of 1-[4-(2-fluoroethyl)piperazin-1-yl]-2-(methylamino)ethanone?
The InChIKey is NQFMYTYGVDRMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN3O/c1-11-8-9(14)13-6-4-12(3-2-10)5-7-13/h11H,2-8H2,1H3.
What are the key properties of 1-[4-(2-fluoroethyl)piperazin-1-yl]-2-(methylamino)ethanone?
1-[4-(2-fluoroethyl)piperazin-1-yl]-2-(methylamino)ethanone has a molecular weight of 203.26 g/mol, XLogP of -0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoroethyl)piperazin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 121201948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).