1-[4-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone

C15H28FN3O — CID 166113547

IUPAC1-[4-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(F)(CN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C15H28FN3O/c1-13(2)18-10-8-17(9-11-18)12-15(16)4-6-19(7-5-15)14(3)20/h13H,4-12H2,1-3H3
InChIKeyKUJHMTGVCPRSJZ-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.36
Rot. Bonds3

About 1-[4-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone

1-[4-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 166113547) has the molecular formula C15H28FN3O and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-[4-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID166113547
Molecular FormulaC15H28FN3O
Molecular Weight285.41 g/mol
Exact Mass285.22
IUPAC Name1-[4-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(F)(CN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C15H28FN3O/c1-13(2)18-10-8-17(9-11-18)12-15(16)4-6-19(7-5-15)14(3)20/h13H,4-12H2,1-3H3
InChIKeyKUJHMTGVCPRSJZ-UHFFFAOYSA-N
XLogP1.36
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

Analyze 1-[4-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-fluoro-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 177302310
1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170952005
6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-6-azaspiro[2.6]nonane
CID 176562277
1-[4-fluoro-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 166113245
7-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-2-iodo-7-azaspiro[3.5]nonane
CID 176563302
ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 170617031
1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutan-1-ol
CID 131701690
ethane;1-[4-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]heptane-1,6-dione
CID 172576329
ethane;1-[4-fluoro-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 177354793
ethane;N-methyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 170709333
2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 171748434
4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-4-ol
CID 55048859

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone (CID 166113547) is 1-[4-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(F)(CN2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-[4-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is KUJHMTGVCPRSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FN3O/c1-13(2)18-10-8-17(9-11-18)12-15(16)4-6-19(7-5-15)14(3)20/h13H,4-12H2,1-3H3.
What are the key properties of 1-[4-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone?
1-[4-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 285.41 g/mol, XLogP of 1.36, 3 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-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 166113547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).