1-(3-hydroxy-3-methylazetidin-1-yl)-3-piperidin-3-ylpropan-1-one

C12H22N2O2 — CID 107219335

IUPAC1-(3-hydroxy-3-methylazetidin-1-yl)-3-piperidin-3-ylpropan-1-one
SMILESCC1(O)CN(C(=O)CCC2CCCNC2)C1
InChIInChI=1S/C12H22N2O2/c1-12(16)8-14(9-12)11(15)5-4-10-3-2-6-13-7-10/h10,13,16H,2-9H2,1H3
InChIKeyXXGAIQOISOIOPK-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.36
Rot. Bonds3

About 1-(3-hydroxy-3-methylazetidin-1-yl)-3-piperidin-3-ylpropan-1-one

1-(3-hydroxy-3-methylazetidin-1-yl)-3-piperidin-3-ylpropan-1-one (PubChem CID 107219335) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylazetidin-1-yl)-3-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylazetidin-1-yl)-3-piperidin-3-ylpropan-1-one
PubChem CID107219335
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(3-hydroxy-3-methylazetidin-1-yl)-3-piperidin-3-ylpropan-1-one
SMILESCC1(O)CN(C(=O)CCC2CCCNC2)C1
InChIInChI=1S/C12H22N2O2/c1-12(16)8-14(9-12)11(15)5-4-10-3-2-6-13-7-10/h10,13,16H,2-9H2,1H3
InChIKeyXXGAIQOISOIOPK-UHFFFAOYSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-3-ylpropan-1-one
CID 107404314
1-[3-(dimethylamino)pyrrolidin-1-yl]-3-piperidin-3-ylpropan-1-one
CID 63167273
1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-piperidin-3-ylpropan-1-one
CID 66372384
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 103356003
1-(2-piperidin-3-ylethyl)cyclopropan-1-ol
CID 84653581
1-(3-ethylpyrrolidin-1-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 115774867
methyl 3-piperidin-3-ylpropanoate;hydrochloride
CID 47000746
2-piperidin-3-yl-1-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63634230
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-3-ylpropan-1-one
CID 57445005
2-piperidin-3-yl-1-(2,2,5,5-tetramethylpiperidin-1-yl)ethanone
CID 138057222
1-(3-hydroxy-3-methylazetidin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 107219375
1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 107220234

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methylazetidin-1-yl)-3-piperidin-3-ylpropan-1-one?
The IUPAC name of 1-(3-hydroxy-3-methylazetidin-1-yl)-3-piperidin-3-ylpropan-1-one (CID 107219335) is 1-(3-hydroxy-3-methylazetidin-1-yl)-3-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 1-(3-hydroxy-3-methylazetidin-1-yl)-3-piperidin-3-ylpropan-1-one?
The canonical SMILES for 1-(3-hydroxy-3-methylazetidin-1-yl)-3-piperidin-3-ylpropan-1-one is CC1(O)CN(C(=O)CCC2CCCNC2)C1.
What is the InChIKey of 1-(3-hydroxy-3-methylazetidin-1-yl)-3-piperidin-3-ylpropan-1-one?
The InChIKey is XXGAIQOISOIOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(16)8-14(9-12)11(15)5-4-10-3-2-6-13-7-10/h10,13,16H,2-9H2,1H3.
What are the key properties of 1-(3-hydroxy-3-methylazetidin-1-yl)-3-piperidin-3-ylpropan-1-one?
1-(3-hydroxy-3-methylazetidin-1-yl)-3-piperidin-3-ylpropan-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylazetidin-1-yl)-3-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 107219335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).