2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-piperidin-1-ylpropan-1-one

C13H26N2O2 — CID 113476280

IUPAC2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)N(C)C(C)(C)CO
InChIInChI=1S/C13H26N2O2/c1-11(14(4)13(2,3)10-16)12(17)15-8-6-5-7-9-15/h11,16H,5-10H2,1-4H3
InChIKeyDCAVWUZPMADYNJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.09
Rot. Bonds4

About 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-piperidin-1-ylpropan-1-one

2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 113476280) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID113476280
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)N(C)C(C)(C)CO
InChIInChI=1S/C13H26N2O2/c1-11(14(4)13(2,3)10-16)12(17)15-8-6-5-7-9-15/h11,16H,5-10H2,1-4H3
InChIKeyDCAVWUZPMADYNJ-UHFFFAOYSA-N
XLogP1.09
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxyethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
CID 60683953
2,3,3-trimethyl-1-pyrrolidin-1-ylbutan-1-one
CID 77436471
N,N-dimethyl-2-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]acetamide
CID 78809290
2-[bis(2-chloroethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 3064207
3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]-tert-butylamino]propanoic acid
CID 60833031
2-[2-aminoethyl(propan-2-yl)amino]-1-(azepan-1-yl)propan-1-one
CID 61350499
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 107852687
N-methyl-N-(2-methylbutan-2-yl)azepane-1-carboxamide
CID 116656144
4-[[1-(azepan-1-yl)-1-oxopropan-2-yl]-methylamino]butanoic acid
CID 55005650
2-[(3-amino-2-methylpropyl)-ethylamino]-1-(azepan-1-yl)propan-1-one
CID 54987810
(2R)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 91806212

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-piperidin-1-ylpropan-1-one (CID 113476280) is 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-piperidin-1-ylpropan-1-one is CC(C(=O)N1CCCCC1)N(C)C(C)(C)CO.
What is the InChIKey of 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is DCAVWUZPMADYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(14(4)13(2,3)10-16)12(17)15-8-6-5-7-9-15/h11,16H,5-10H2,1-4H3.
What are the key properties of 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-piperidin-1-ylpropan-1-one?
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 113476280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).