1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone

C9H18N2O2 — CID 131155211

IUPAC1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone
SMILESCN(C)C1CCCN(C(=O)CO)C1
InChIInChI=1S/C9H18N2O2/c1-10(2)8-4-3-5-11(6-8)9(13)7-12/h8,12H,3-7H2,1-2H3
InChIKeyVZFBSAKOIIYBFK-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.47
Rot. Bonds2

About 1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone

1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone (PubChem CID 131155211) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone
PubChem CID131155211
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone
SMILESCN(C)C1CCCN(C(=O)CO)C1
InChIInChI=1S/C9H18N2O2/c1-10(2)8-4-3-5-11(6-8)9(13)7-12/h8,12H,3-7H2,1-2H3
InChIKeyVZFBSAKOIIYBFK-UHFFFAOYSA-N
XLogP-0.47
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63090748
ethyl 3-(dimethylamino)piperidine-1-carboxylate
CID 63862577
1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66422913
1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 78946629
1-[3-(dimethylamino)piperidin-1-yl]-2-(prop-2-enylamino)ethanone
CID 79280252
2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 55246948
(1-aminocyclobutyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 81168310
1-[3-(dimethylamino)piperidin-1-yl]-3,7,11,15-tetramethylhexadecan-1-one
CID 21298064
2-(2-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 63174996
3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164681
2-[4-(aminomethyl)cyclohexyl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 63611894
N-cyclohexyl-3-(dimethylamino)piperidine-1-carboxamide
CID 115613906

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone (CID 131155211) is 1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone is CN(C)C1CCCN(C(=O)CO)C1.
What is the InChIKey of 1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone?
The InChIKey is VZFBSAKOIIYBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10(2)8-4-3-5-11(6-8)9(13)7-12/h8,12H,3-7H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone?
1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone has a molecular weight of 186.25 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 131155211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).