3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one

C15H22FN3O — CID 64685927

IUPAC3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)(N)CC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3O/c1-15(2,17)11-14(20)19-9-7-18(8-10-19)13-5-3-12(16)4-6-13/h3-6H,7-11,17H2,1-2H3
InChIKeyOURNXRBDWMGQEW-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.60
Rot. Bonds3

About 3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one

3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 64685927) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
PubChem CID64685927
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)(N)CC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3O/c1-15(2,17)11-14(20)19-9-7-18(8-10-19)13-5-3-12(16)4-6-13/h3-6H,7-11,17H2,1-2H3
InChIKeyOURNXRBDWMGQEW-UHFFFAOYSA-N
XLogP1.60
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-[4-(4-fluorophenyl)piperazin-1-yl]-3,3-dimethylpentane-1,5-dione
CID 7318891
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
1-[4-(4-aminophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 43461583
2-amino-2-cyclopropyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 60867515
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 9081569
(2S)-2-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3,3-dimethylbutanamide
CID 119858800
ethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone
CID 142843333
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995416
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one (CID 64685927) is 3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one is CC(C)(N)CC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is OURNXRBDWMGQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-15(2,17)11-14(20)19-9-7-18(8-10-19)13-5-3-12(16)4-6-13/h3-6H,7-11,17H2,1-2H3.
What are the key properties of 3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one?
3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 279.36 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 64685927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).