2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone

C11H20N2O2 — CID 64616768

IUPAC2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1CNC1)N1CCCC(CO)C1
InChIInChI=1S/C11H20N2O2/c14-8-9-2-1-3-13(7-9)11(15)4-10-5-12-6-10/h9-10,12,14H,1-8H2
InChIKeyUQZVHVXDJIZLPF-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.17
Rot. Bonds3

About 2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone

2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 64616768) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID64616768
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1CNC1)N1CCCC(CO)C1
InChIInChI=1S/C11H20N2O2/c14-8-9-2-1-3-13(7-9)11(15)4-10-5-12-6-10/h9-10,12,14H,1-8H2
InChIKeyUQZVHVXDJIZLPF-UHFFFAOYSA-N
XLogP-0.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-(azetidin-3-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 64609955
1-(3-ethylpiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62689348
2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone
CID 115740816
1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62212438
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone
CID 64611824
[1-(2-piperidin-3-ylacetyl)piperidin-3-yl]methylurea
CID 62674376
4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 93204224
2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 116674991
3,3,3-trifluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43422447
2-cyclohexyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372498
2-(azetidin-3-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 64612264

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone (CID 64616768) is 2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone is O=C(CC1CNC1)N1CCCC(CO)C1.
What is the InChIKey of 2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is UQZVHVXDJIZLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-8-9-2-1-3-13(7-9)11(15)4-10-5-12-6-10/h9-10,12,14H,1-8H2.
What are the key properties of 2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 212.29 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 64616768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).