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

C14H20FN3O — CID 22692254

IUPAC4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H20FN3O/c15-12-4-1-2-5-13(12)17-8-10-18(11-9-17)14(19)6-3-7-16/h1-2,4-5H,3,6-11,16H2
InChIKeyAPDXLRLJXGPBGK-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.21
Rot. Bonds4

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

4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one (PubChem CID 22692254) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
PubChem CID22692254
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H20FN3O/c15-12-4-1-2-5-13(12)17-8-10-18(11-9-17)14(19)6-3-7-16/h1-2,4-5H,3,6-11,16H2
InChIKeyAPDXLRLJXGPBGK-UHFFFAOYSA-N
XLogP1.21
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one
CID 28933889
1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one
CID 3309376
4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119887909
1-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentane-1,5-dione
CID 3982950
3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54868649
1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
CID 18106218
10-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]acridin-9-one
CID 22330323
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one
CID 110685207
3-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-3-oxopropane-1-sulfonamide
CID 110343327
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943475
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
CID 7328592
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(prop-2-enylamino)propan-1-one
CID 109012047

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one (CID 22692254) is 4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one is NCCCC(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one?
The InChIKey is APDXLRLJXGPBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c15-12-4-1-2-5-13(12)17-8-10-18(11-9-17)14(19)6-3-7-16/h1-2,4-5H,3,6-11,16H2.
What are the key properties of 4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one?
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one has a molecular weight of 265.33 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 22692254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).