3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone

C15H19NO3 — CID 82485167

IUPAC3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)CCCO2)N1CCC(O)CC1
InChIInChI=1S/C15H19NO3/c17-13-5-7-16(8-6-13)15(18)12-3-4-14-11(10-12)2-1-9-19-14/h3-4,10,13,17H,1-2,5-9H2
InChIKeyWJPVKWQRELRXKX-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.61
Rot. Bonds1

About 3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone

3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 82485167) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone
PubChem CID82485167
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)CCCO2)N1CCC(O)CC1
InChIInChI=1S/C15H19NO3/c17-13-5-7-16(8-6-13)15(18)12-3-4-14-11(10-12)2-1-9-19-14/h3-4,10,13,17H,1-2,5-9H2
InChIKeyWJPVKWQRELRXKX-UHFFFAOYSA-N
XLogP1.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
CID 110693318
1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide
CID 110693355
N-cyclopentyl-4-(3,4-dihydro-2H-chromene-6-carbonyl)piperazine-1-carboxamide
CID 110812686
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 86985261
3,4-dihydro-2H-chromen-6-yl-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone
CID 126438461
3,4-dihydro-2H-chromen-6-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 119073914
5-[4-(3,4-dihydro-2H-chromene-6-carbonyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110816231
[4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 55218662
3,4-dihydro-2H-chromen-6-yl-[4-(2-methylbenzoyl)piperazin-1-yl]methanone
CID 110802138
2-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]acetic acid
CID 78979831
3,4-dihydro-2H-chromen-6-yl-[6-(hydroxymethyl)-1,4-oxazepan-4-yl]methanone
CID 70753831

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone (CID 82485167) is 3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone is O=C(c1ccc2c(c1)CCCO2)N1CCC(O)CC1.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is WJPVKWQRELRXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-13-5-7-16(8-6-13)15(18)12-3-4-14-11(10-12)2-1-9-19-14/h3-4,10,13,17H,1-2,5-9H2.
What are the key properties of 3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone?
3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 261.32 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 82485167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).