1-(3,5-dimethylpiperidin-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone

C13H24N2O2 — CID 62916112

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)CN2CCC(O)C2)C1
InChIInChI=1S/C13H24N2O2/c1-10-5-11(2)7-15(6-10)13(17)9-14-4-3-12(16)8-14/h10-12,16H,3-9H2,1-2H3
InChIKeyIQVMCFWLQYIGAK-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.56
Rot. Bonds2

About 1-(3,5-dimethylpiperidin-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone (PubChem CID 62916112) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
PubChem CID62916112
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)CN2CCC(O)C2)C1
InChIInChI=1S/C13H24N2O2/c1-10-5-11(2)7-15(6-10)13(17)9-14-4-3-12(16)8-14/h10-12,16H,3-9H2,1-2H3
InChIKeyIQVMCFWLQYIGAK-UHFFFAOYSA-N
XLogP0.56
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 78962281
1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62917489
1-(3-hydroxypyrrolidin-1-yl)propan-2-one
CID 23388482
2-(3-hydroxypiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 60645203
1-(azetidin-1-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 103898098
1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 129367078
1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107226024
methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate
CID 63365238
1-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone
CID 128925402
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 78963930
N,N-diethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963518
1-(2,6-dimethylmorpholin-4-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282275

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone (CID 62916112) is 1-(3,5-dimethylpiperidin-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone is CC1CC(C)CN(C(=O)CN2CCC(O)C2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone?
The InChIKey is IQVMCFWLQYIGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-5-11(2)7-15(6-10)13(17)9-14-4-3-12(16)8-14/h10-12,16H,3-9H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone has a molecular weight of 240.35 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 62916112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).