3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone

C16H21NO3 — CID 115874781

IUPAC3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2COc3ccccc3C2)C1
InChIInChI=1S/C16H21NO3/c1-16(19)7-4-8-17(11-16)15(18)13-9-12-5-2-3-6-14(12)20-10-13/h2-3,5-6,13,19H,4,7-11H2,1H3
InChIKeyAVOXJIAYTWJYPT-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.61
Rot. Bonds1

About 3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone

3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 115874781) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID115874781
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2COc3ccccc3C2)C1
InChIInChI=1S/C16H21NO3/c1-16(19)7-4-8-17(11-16)15(18)13-9-12-5-2-3-6-14(12)20-10-13/h2-3,5-6,13,19H,4,7-11H2,1H3
InChIKeyAVOXJIAYTWJYPT-UHFFFAOYSA-N
XLogP1.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3,4-dihydro-2H-chromene-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323430
[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 26794764
3,4-dihydro-2H-chromen-3-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 22578087
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 97142075
(3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid
CID 81126614
3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
CID 63565455
3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 134022339
(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone
CID 51925423
3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900916
2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874816
3,4-dihydro-2H-chromen-3-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63589640
8-(3,4-dihydro-2H-chromene-3-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70758808

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone (CID 115874781) is 3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone is CC1(O)CCCN(C(=O)C2COc3ccccc3C2)C1.
What is the InChIKey of 3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is AVOXJIAYTWJYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-16(19)7-4-8-17(11-16)15(18)13-9-12-5-2-3-6-14(12)20-10-13/h2-3,5-6,13,19H,4,7-11H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 275.35 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-3-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 115874781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).