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

C18H24FNO — CID 21461209

IUPAC1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(C2CCc3ccc(F)cc32)CC1
InChIInChI=1S/C18H24FNO/c1-12(2)18(21)20-9-7-14(8-10-20)16-6-4-13-3-5-15(19)11-17(13)16/h3,5,11-12,14,16H,4,6-10H2,1-2H3
InChIKeyZGVCVJVFVMGKLC-UHFFFAOYSA-N
MW289.39 g/mol
LogP3.75
Rot. Bonds2

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

1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 21461209) 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]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID21461209
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]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(C2CCc3ccc(F)cc32)CC1
InChIInChI=1S/C18H24FNO/c1-12(2)18(21)20-9-7-14(8-10-20)16-6-4-13-3-5-15(19)11-17(13)16/h3,5,11-12,14,16H,4,6-10H2,1-2H3
InChIKeyZGVCVJVFVMGKLC-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one (CID 21461209) is 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=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]-2-methylpropan-1-one?
The InChIKey is ZGVCVJVFVMGKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c1-12(2)18(21)20-9-7-14(8-10-20)16-6-4-13-3-5-15(19)11-17(13)16/h3,5,11-12,14,16H,4,6-10H2,1-2H3.
What are the key properties of 1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one?
1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 289.39 g/mol, XLogP of 3.75, 2 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]-2-methylpropan-1-one is sourced from PubChem (CID 21461209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).