1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one

C17H23NO2 — CID 116559906

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one
SMILESO=C(CC1CCNCC1)CC1CCOc2ccccc21
InChIInChI=1S/C17H23NO2/c19-15(11-13-5-8-18-9-6-13)12-14-7-10-20-17-4-2-1-3-16(14)17/h1-4,13-14,18H,5-12H2
InChIKeyLLVKEPJIJAAYNB-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.90
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one

1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one (PubChem CID 116559906) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one
PubChem CID116559906
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one
SMILESO=C(CC1CCNCC1)CC1CCOc2ccccc21
InChIInChI=1S/C17H23NO2/c19-15(11-13-5-8-18-9-6-13)12-14-7-10-20-17-4-2-1-3-16(14)17/h1-4,13-14,18H,5-12H2
InChIKeyLLVKEPJIJAAYNB-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one
CID 104769876
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 104769879
1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one
CID 104769789
1-(3,4-dihydro-2H-chromen-4-yl)-4-phenylbutan-2-one
CID 104769764
6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 116571971
2-(3,4-dihydro-2H-chromen-4-yl)-1-piperidin-3-ylethanone
CID 116548013
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
1-(4-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 104769739
1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one
CID 115798863
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one (CID 116559906) is 1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one is O=C(CC1CCNCC1)CC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one?
The InChIKey is LLVKEPJIJAAYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-15(11-13-5-8-18-9-6-13)12-14-7-10-20-17-4-2-1-3-16(14)17/h1-4,13-14,18H,5-12H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one?
1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one is sourced from PubChem (CID 116559906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).