2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one

C16H24FN3O — CID 60918849

IUPAC2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one
SMILESCCCCC(N)C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H24FN3O/c1-2-3-7-14(18)16(21)20-11-9-19(10-12-20)15-8-5-4-6-13(15)17/h4-6,8,14H,2-3,7,9-12,18H2,1H3
InChIKeyAYAFJLIHHLAHJX-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.99
Rot. Bonds5

About 2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one

2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one (PubChem CID 60918849) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one
PubChem CID60918849
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one
SMILESCCCCC(N)C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H24FN3O/c1-2-3-7-14(18)16(21)20-11-9-19(10-12-20)15-8-5-4-6-13(15)17/h4-6,8,14H,2-3,7,9-12,18H2,1H3
InChIKeyAYAFJLIHHLAHJX-UHFFFAOYSA-N
XLogP1.99
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-one
CID 60853847
(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827006
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 42936420
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one
CID 60854019
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107023626
1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one
CID 3309376
2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one
CID 43650090
2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one
CID 54868660
2-ethyl-1-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]hexan-1-one
CID 42702663
(2S)-2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 75494290
2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
CID 54870104
(4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217763

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one?
The IUPAC name of 2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one (CID 60918849) is 2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one.
What is the SMILES notation for 2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one?
The canonical SMILES for 2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one is CCCCC(N)C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one?
The InChIKey is AYAFJLIHHLAHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-2-3-7-14(18)16(21)20-11-9-19(10-12-20)15-8-5-4-6-13(15)17/h4-6,8,14H,2-3,7,9-12,18H2,1H3.
What are the key properties of 2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one?
2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one has a molecular weight of 293.39 g/mol, XLogP of 1.99, 5 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-fluorophenyl)piperazin-1-yl]hexan-1-one is sourced from PubChem (CID 60918849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).