2-[2-hydroxypropyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone

C12H24N2O2 — CID 62332786

IUPAC2-[2-hydroxypropyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC(O)CN(C)CC(=O)N1CCC(C)CC1
InChIInChI=1S/C12H24N2O2/c1-10-4-6-14(7-5-10)12(16)9-13(3)8-11(2)15/h10-11,15H,4-9H2,1-3H3
InChIKeyKGTUFYDUNDAMQA-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.56
Rot. Bonds4

About 2-[2-hydroxypropyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone

2-[2-hydroxypropyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 62332786) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[2-hydroxypropyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-hydroxypropyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID62332786
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[2-hydroxypropyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC(O)CN(C)CC(=O)N1CCC(C)CC1
InChIInChI=1S/C12H24N2O2/c1-10-4-6-14(7-5-10)12(16)9-13(3)8-11(2)15/h10-11,15H,4-9H2,1-3H3
InChIKeyKGTUFYDUNDAMQA-UHFFFAOYSA-N
XLogP0.56
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62332976
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 79652067
1-[4-(dimethylamino)piperidin-1-yl]-2-[[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-methylamino]ethanone
CID 144771309
2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone
CID 59001118
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(4-methylpiperidin-1-yl)ethanone
CID 62020113
1-(4-methylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
CID 106636288
2-methyl-3-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82326930
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
2-[(2R,3R)-3-hydroxybutan-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 96537967
1-(3,5-dimethylpiperidin-1-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone
CID 62013810
N-[3-(dimethylamino)propyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113160775
2-methyl-3-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55007832

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxypropyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2-hydroxypropyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone (CID 62332786) is 2-[2-hydroxypropyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-hydroxypropyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-hydroxypropyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone is CC(O)CN(C)CC(=O)N1CCC(C)CC1.
What is the InChIKey of 2-[2-hydroxypropyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is KGTUFYDUNDAMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10-4-6-14(7-5-10)12(16)9-13(3)8-11(2)15/h10-11,15H,4-9H2,1-3H3.
What are the key properties of 2-[2-hydroxypropyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone?
2-[2-hydroxypropyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 228.34 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxypropyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 62332786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).