2,3-dihydro-1H-inden-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

C17H23NO2 — CID 106703940

IUPAC2,3-dihydro-1H-inden-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(C1Cc2ccccc2C1)N1CCCC(CCO)C1
InChIInChI=1S/C17H23NO2/c19-9-7-13-4-3-8-18(12-13)17(20)16-10-14-5-1-2-6-15(14)11-16/h1-2,5-6,13,16,19H,3-4,7-12H2
InChIKeyMKMOCZWSHNZAHT-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.02
Rot. Bonds3

About 2,3-dihydro-1H-inden-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

2,3-dihydro-1H-inden-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 106703940) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID106703940
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2,3-dihydro-1H-inden-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(C1Cc2ccccc2C1)N1CCCC(CCO)C1
InChIInChI=1S/C17H23NO2/c19-9-7-13-4-3-8-18(12-13)17(20)16-10-14-5-1-2-6-15(14)11-16/h1-2,5-6,13,16,19H,3-4,7-12H2
InChIKeyMKMOCZWSHNZAHT-UHFFFAOYSA-N
XLogP2.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-inden-2-yl-(3-hydroxypiperidin-1-yl)methanone
CID 112530917
[3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 89469188
cyclohex-3-en-1-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62370931
(4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107216903
2-(2,6-dichlorophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62357455
2,3-dihydro-1H-inden-2-yl-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone
CID 138381348
methyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate
CID 112531649
2,3-dihydro-1,4-benzodioxin-3-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62371476
[3-(2-chloroethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63395841
[3-(benzenesulfonylmethyl)piperidin-1-yl]-cyclobutylmethanone
CID 110661911
[1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 119071782
[3-(2-hydroxyethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107229128

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 106703940) is 2,3-dihydro-1H-inden-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is O=C(C1Cc2ccccc2C1)N1CCCC(CCO)C1.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is MKMOCZWSHNZAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-9-7-13-4-3-8-18(12-13)17(20)16-10-14-5-1-2-6-15(14)11-16/h1-2,5-6,13,16,19H,3-4,7-12H2.
What are the key properties of 2,3-dihydro-1H-inden-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
2,3-dihydro-1H-inden-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 273.38 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 106703940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).