2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-1-piperidin-1-ylethanone

C13H18N2O3 — CID 79800097

IUPAC2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-1-piperidin-1-ylethanone
SMILESO=C(COc1ccc(CO)nc1)N1CCCCC1
InChIInChI=1S/C13H18N2O3/c16-9-11-4-5-12(8-14-11)18-10-13(17)15-6-2-1-3-7-15/h4-5,8,16H,1-3,6-7,9-10H2
InChIKeyMPHXWGYHXMIFTB-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.97
Rot. Bonds4

About 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-1-piperidin-1-ylethanone

2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-1-piperidin-1-ylethanone (PubChem CID 79800097) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-1-piperidin-1-ylethanone
PubChem CID79800097
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-1-piperidin-1-ylethanone
SMILESO=C(COc1ccc(CO)nc1)N1CCCCC1
InChIInChI=1S/C13H18N2O3/c16-9-11-4-5-12(8-14-11)18-10-13(17)15-6-2-1-3-7-15/h4-5,8,16H,1-3,6-7,9-10H2
InChIKeyMPHXWGYHXMIFTB-UHFFFAOYSA-N
XLogP0.97
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-[(6-bromo-3-pyridinyl)oxy]ethanone
CID 71853625
2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylethanone
CID 79775446
1-(azepan-1-yl)-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propan-1-one
CID 79800104
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
CID 8566237
2-(3,4-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 2995974
2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 79782287
2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
CID 54908646
4-[2-(azepan-1-yl)-2-oxoethoxy]benzenecarbothioamide
CID 24689917

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-1-piperidin-1-ylethanone (CID 79800097) is 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-1-piperidin-1-ylethanone is O=C(COc1ccc(CO)nc1)N1CCCCC1.
What is the InChIKey of 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-1-piperidin-1-ylethanone?
The InChIKey is MPHXWGYHXMIFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-9-11-4-5-12(8-14-11)18-10-13(17)15-6-2-1-3-7-15/h4-5,8,16H,1-3,6-7,9-10H2.
What are the key properties of 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-1-piperidin-1-ylethanone?
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-1-piperidin-1-ylethanone has a molecular weight of 250.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 79800097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).