2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone

C16H21NO3 — CID 63090854

IUPAC2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone
SMILESO=C(COc1cccc2c1CCC2O)N1CCCCC1
InChIInChI=1S/C16H21NO3/c18-14-8-7-13-12(14)5-4-6-15(13)20-11-16(19)17-9-2-1-3-10-17/h4-6,14,18H,1-3,7-11H2
InChIKeyXBAZPJCBULRJNX-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.06
Rot. Bonds3

About 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone

2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone (PubChem CID 63090854) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone
PubChem CID63090854
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone
SMILESO=C(COc1cccc2c1CCC2O)N1CCCCC1
InChIInChI=1S/C16H21NO3/c18-14-8-7-13-12(14)5-4-6-15(13)20-11-16(19)17-9-2-1-3-10-17/h4-6,14,18H,1-3,7-11H2
InChIKeyXBAZPJCBULRJNX-UHFFFAOYSA-N
XLogP2.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone
CID 63090647
1-(azepan-1-yl)-2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]ethanone
CID 107684569
N-cyclopropyl-2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetamide
CID 63091231
2-(2-amino-3-hydroxyphenoxy)-1-(azepan-1-yl)ethanone
CID 114764292
2-(2-amino-3-hydroxyphenoxy)-1-piperidin-1-ylethanone
CID 114764422
(1R)-4-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-1-ol
CID 95012649
4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 107912816
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-(oxan-4-yl)acetamide
CID 63091211
4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 55179905
4-but-3-ynoxy-2,3-dihydro-1H-inden-1-ol
CID 63091221
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile
CID 63090888
4-[[(1S,2R,4S)-4-chloro-2-hydroxycyclopentyl]methoxy]-2,3-dihydro-1H-inden-1-ol
CID 89299936

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone (CID 63090854) is 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone is O=C(COc1cccc2c1CCC2O)N1CCCCC1.
What is the InChIKey of 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone?
The InChIKey is XBAZPJCBULRJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-14-8-7-13-12(14)5-4-6-15(13)20-11-16(19)17-9-2-1-3-10-17/h4-6,14,18H,1-3,7-11H2.
What are the key properties of 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone?
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone has a molecular weight of 275.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 63090854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).