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

C15H21FN2O — CID 42936420

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H21FN2O/c1-3-12(2)15(19)18-10-8-17(9-11-18)14-7-5-4-6-13(14)16/h4-7,12H,3,8-11H2,1-2H3
InChIKeyXLAHEQUAQJOOTA-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.52
Rot. Bonds3

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

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one (PubChem CID 42936420) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
PubChem CID42936420
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H21FN2O/c1-3-12(2)15(19)18-10-8-17(9-11-18)14-7-5-4-6-13(14)16/h4-7,12H,3,8-11H2,1-2H3
InChIKeyXLAHEQUAQJOOTA-UHFFFAOYSA-N
XLogP2.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107023626
(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827006
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 60918849
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 46043420
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one
CID 38007048
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carbothioamide
CID 23905679
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-yloxybutan-1-one
CID 93487207
2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one
CID 64868635
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone
CID 95577530
(2R)-2-(4-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 40697011

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one (CID 42936420) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one is CCC(C)C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one?
The InChIKey is XLAHEQUAQJOOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-3-12(2)15(19)18-10-8-17(9-11-18)14-7-5-4-6-13(14)16/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one?
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one has a molecular weight of 264.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one is sourced from PubChem (CID 42936420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).