1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]butan-1-one

C18H24FNO — CID 21461206

IUPAC1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(C2CCc3ccc(F)cc32)CC1
InChIInChI=1S/C18H24FNO/c1-2-3-18(21)20-10-8-14(9-11-20)16-7-5-13-4-6-15(19)12-17(13)16/h4,6,12,14,16H,2-3,5,7-11H2,1H3
InChIKeyULJYAWPYOMZZHT-UHFFFAOYSA-N
MW289.39 g/mol
LogP3.89
Rot. Bonds3

About 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]butan-1-one

1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]butan-1-one (PubChem CID 21461206) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]butan-1-one
PubChem CID21461206
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC Name1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(C2CCc3ccc(F)cc32)CC1
InChIInChI=1S/C18H24FNO/c1-2-3-18(21)20-10-8-14(9-11-20)16-7-5-13-4-6-15(19)12-17(13)16/h4,6,12,14,16H,2-3,5,7-11H2,1H3
InChIKeyULJYAWPYOMZZHT-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 760213
AI3-37156
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1-(4-Benzylpiperidin-1-yl)-2,2-dimethylpropan-1-one
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SMARt751
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CID 23724009
Cyclopropyl-[4-(3-methylphenyl)piperidin-1-yl]methanone
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Methanone, (2-indanyl)(4-morpholyl)-
CID 576078
2-Methyl-1-[4-benzylpiperidyl]pentan-1-one
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2-Cyclooctyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
CID 10315031
Piperidine-4-carboxylic acid (9H-fluoren-9-ylmethyl)-amide
CID 44337659
3-[2-(3,4-Difluorophenyl)ethyl]-1-[(1-methylcyclopropyl)carbonyl]piperidine
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]butan-1-one (CID 21461206) is 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(C2CCc3ccc(F)cc32)CC1.
What is the InChIKey of 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]butan-1-one?
The InChIKey is ULJYAWPYOMZZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c1-2-3-18(21)20-10-8-14(9-11-20)16-7-5-13-4-6-15(19)12-17(13)16/h4,6,12,14,16H,2-3,5,7-11H2,1H3.
What are the key properties of 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]butan-1-one?
1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]butan-1-one has a molecular weight of 289.39 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 21461206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).