1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]-2-methylpropan-1-one

C12H24N2O2 — CID 83989811

IUPAC1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]-2-methylpropan-1-one
SMILESCNC1CC(C(C)O)CN(C(=O)C(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-8(2)12(16)14-6-10(9(3)15)5-11(7-14)13-4/h8-11,13,15H,5-7H2,1-4H3
InChIKeyLJAHAOKPFMGAMB-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.46
Rot. Bonds3

About 1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]-2-methylpropan-1-one

1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 83989811) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID83989811
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]-2-methylpropan-1-one
SMILESCNC1CC(C(C)O)CN(C(=O)C(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-8(2)12(16)14-6-10(9(3)15)5-11(7-14)13-4/h8-11,13,15H,5-7H2,1-4H3
InChIKeyLJAHAOKPFMGAMB-UHFFFAOYSA-N
XLogP0.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989743
N-[5-(1-hydroxyethyl)-1-(2-methylpropanoyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542313
N-[5-(1-hydroxyethyl)-1-propanoylpiperidin-3-yl]-2-methylpropanamide
CID 112542715
N-[1-acetyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542253
1-[3-(cyclopropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83991690
1-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 83992992
1-[3-(2,2-dimethylpropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 83995067
2-methyl-1-[(2R,4S)-2-methyl-4-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 177012883
ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 112543799
methyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 83992933
methyl N-[5-(1-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]carbamate
CID 112543245
1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 83992339

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]-2-methylpropan-1-one (CID 83989811) is 1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]-2-methylpropan-1-one is CNC1CC(C(C)O)CN(C(=O)C(C)C)C1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is LJAHAOKPFMGAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8(2)12(16)14-6-10(9(3)15)5-11(7-14)13-4/h8-11,13,15H,5-7H2,1-4H3.
What are the key properties of 1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]-2-methylpropan-1-one?
1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 83989811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).