2H-chromen-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

C17H21NO3 — CID 110887040

IUPAC2H-chromen-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(C1=Cc2ccccc2OC1)N1CCCCC1CCO
InChIInChI=1S/C17H21NO3/c19-10-8-15-6-3-4-9-18(15)17(20)14-11-13-5-1-2-7-16(13)21-12-14/h1-2,5,7,11,15,19H,3-4,6,8-10,12H2
InChIKeyYGBSIHUPZXZGSR-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.23
Rot. Bonds3

About 2H-chromen-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

2H-chromen-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 110887040) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2H-chromen-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2H-chromen-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID110887040
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2H-chromen-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(C1=Cc2ccccc2OC1)N1CCCCC1CCO
InChIInChI=1S/C17H21NO3/c19-10-8-15-6-3-4-9-18(15)17(20)14-11-13-5-1-2-7-16(13)21-12-14/h1-2,5,7,11,15,19H,3-4,6,8-10,12H2
InChIKeyYGBSIHUPZXZGSR-UHFFFAOYSA-N
XLogP2.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2H-chromen-3-yl-(2-methylpiperidin-1-yl)methanone
CID 22578416
[4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
CID 36513567
2,3-dihydro-1,4-benzodioxin-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 60955013
(6-bromo-2H-chromen-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030457
2-[4-(2H-chromene-3-carbonyl)thiomorpholin-3-yl]acetic acid
CID 119210339
azepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone
CID 17475798
2H-chromen-3-yl-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
CID 9291396
2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone
CID 36706766
2H-chromen-3-yl-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone
CID 9490267
(4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride
CID 119373372
2H-chromen-3-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395350
(6-methoxy-2H-chromen-3-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124684607

Frequently Asked Questions

What is the IUPAC name of 2H-chromen-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of 2H-chromen-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 110887040) is 2H-chromen-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 2H-chromen-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for 2H-chromen-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is O=C(C1=Cc2ccccc2OC1)N1CCCCC1CCO.
What is the InChIKey of 2H-chromen-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is YGBSIHUPZXZGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-10-8-15-6-3-4-9-18(15)17(20)14-11-13-5-1-2-7-16(13)21-12-14/h1-2,5,7,11,15,19H,3-4,6,8-10,12H2.
What are the key properties of 2H-chromen-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
2H-chromen-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 287.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromen-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110887040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).