2-amino-1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-one

C9H18FN3O — CID 59935068

IUPAC2-amino-1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CCN(CCF)CC1
InChIInChI=1S/C9H18FN3O/c1-8(11)9(14)13-6-4-12(3-2-10)5-7-13/h8H,2-7,11H2,1H3
InChIKeyGZNVDRQSOFMAAU-UHFFFAOYSA-N
MW203.26 g/mol
LogP-0.55
Rot. Bonds3

About 2-amino-1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-one

2-amino-1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-one (PubChem CID 59935068) has the molecular formula C9H18FN3O and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-amino-1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-one
PubChem CID59935068
Molecular FormulaC9H18FN3O
Molecular Weight203.26 g/mol
Exact Mass203.14
IUPAC Name2-amino-1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CCN(CCF)CC1
InChIInChI=1S/C9H18FN3O/c1-8(11)9(14)13-6-4-12(3-2-10)5-7-13/h8H,2-7,11H2,1H3
InChIKeyGZNVDRQSOFMAAU-UHFFFAOYSA-N
XLogP-0.55
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 61260522
(2S)-2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-1-one
CID 129393995
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119831591
(2S)-2-amino-1-[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]propan-1-one
CID 124603762
(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 156637210
(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 122361126
2-amino-1-(4-ethyl-1,4-diazepan-1-yl)propan-1-one
CID 83635043
(2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
CID 119838010
methyl 2-[4-(2-aminopropanoyl)piperazin-1-yl]acetate
CID 60953142
1-[4-(2-fluoroethyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 121201948
1-[4-(4-aminobutyl)piperazin-1-yl]-2-methylpropan-1-one
CID 43251783
(2S)-2-amino-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 28745499

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-amino-1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-one (CID 59935068) is 2-amino-1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-one is CC(N)C(=O)N1CCN(CCF)CC1.
What is the InChIKey of 2-amino-1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-one?
The InChIKey is GZNVDRQSOFMAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN3O/c1-8(11)9(14)13-6-4-12(3-2-10)5-7-13/h8H,2-7,11H2,1H3.
What are the key properties of 2-amino-1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-one?
2-amino-1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-one has a molecular weight of 203.26 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 59935068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).