1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone

C12H22N2O3 — CID 102656658

IUPAC1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone
SMILESCC1CN(C(=O)COC2(C)CNC2)CCC1O
InChIInChI=1S/C12H22N2O3/c1-9-5-14(4-3-10(9)15)11(16)6-17-12(2)7-13-8-12/h9-10,13,15H,3-8H2,1-2H3
InChIKeySYWPQFYIPZUIPB-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.41
Rot. Bonds3

About 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone

1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone (PubChem CID 102656658) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone
PubChem CID102656658
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone
SMILESCC1CN(C(=O)COC2(C)CNC2)CCC1O
InChIInChI=1S/C12H22N2O3/c1-9-5-14(4-3-10(9)15)11(16)6-17-12(2)7-13-8-12/h9-10,13,15H,3-8H2,1-2H3
InChIKeySYWPQFYIPZUIPB-UHFFFAOYSA-N
XLogP-0.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylpyrrolidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone
CID 102611691
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone
CID 129394622
1-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone
CID 129394621
2-(3-methylazetidin-3-yl)oxy-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 102611887
2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethoxy]acetic acid
CID 114678072
2-[1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659203
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-piperidin-4-ylsulfanylethanone
CID 114678293
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-sulfanylethanone
CID 114683823
2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114678152
N-[1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidin-4-yl]butanamide
CID 102611416
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 114680336
1-(1,3-dihydroisoindol-2-yl)-2-(3-methylazetidin-3-yl)oxyethanone
CID 102611591

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone?
The IUPAC name of 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone (CID 102656658) is 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone.
What is the SMILES notation for 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone?
The canonical SMILES for 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone is CC1CN(C(=O)COC2(C)CNC2)CCC1O.
What is the InChIKey of 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone?
The InChIKey is SYWPQFYIPZUIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9-5-14(4-3-10(9)15)11(16)6-17-12(2)7-13-8-12/h9-10,13,15H,3-8H2,1-2H3.
What are the key properties of 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone?
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone has a molecular weight of 242.32 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone is sourced from PubChem (CID 102656658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).