1-[4-fluoro-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one

C15H28FN3O — CID 166113245

IUPAC1-[4-fluoro-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(F)(CN2CCN(C)CC2)CC1
InChIInChI=1S/C15H28FN3O/c1-3-4-14(20)19-7-5-15(16,6-8-19)13-18-11-9-17(2)10-12-18/h3-13H2,1-2H3
InChIKeyLOZUOJUEBIGWFT-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.36
Rot. Bonds4

About 1-[4-fluoro-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one

1-[4-fluoro-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one (PubChem CID 166113245) has the molecular formula C15H28FN3O and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-[4-fluoro-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-fluoro-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one
PubChem CID166113245
Molecular FormulaC15H28FN3O
Molecular Weight285.41 g/mol
Exact Mass285.22
IUPAC Name1-[4-fluoro-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(F)(CN2CCN(C)CC2)CC1
InChIInChI=1S/C15H28FN3O/c1-3-4-14(20)19-7-5-15(16,6-8-19)13-18-11-9-17(2)10-12-18/h3-13H2,1-2H3
InChIKeyLOZUOJUEBIGWFT-UHFFFAOYSA-N
XLogP1.36
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,4-difluoropiperidin-1-yl)butan-1-one;3-methylbutan-2-ol
CID 164604907
1-[(1-fluorocyclopropyl)methyl]-4-methyl-1,4-diazepane
CID 131201174
ethane;1-pyrrolidin-1-ylbutan-1-one
CID 142223486
1-(4-amino-4-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 130718845
1-[4-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
CID 166113547
1-(4-octylpiperazin-1-yl)butan-1-one
CID 170041976
1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperazine
CID 156559157
1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one
CID 54447693
1-(4-methylpiperazin-1-yl)hexan-1-one
CID 3470875
1-[4-fluoro-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 177302310
1-(4-butanoylpiperazin-1-yl)-11-[4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]undecan-1-one
CID 169257464
ethane;1-(4-methylpiperazin-1-yl)hexane-1,4-dione
CID 176683530

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-fluoro-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one (CID 166113245) is 1-[4-fluoro-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-fluoro-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-fluoro-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(F)(CN2CCN(C)CC2)CC1.
What is the InChIKey of 1-[4-fluoro-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one?
The InChIKey is LOZUOJUEBIGWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FN3O/c1-3-4-14(20)19-7-5-15(16,6-8-19)13-18-11-9-17(2)10-12-18/h3-13H2,1-2H3.
What are the key properties of 1-[4-fluoro-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one?
1-[4-fluoro-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one has a molecular weight of 285.41 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 166113245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).