1-(3,5-dimethylpiperidin-1-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone

C14H28N2O3 — CID 62013810

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone
SMILESCOCC(O)CN(C)CC(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C14H28N2O3/c1-11-5-12(2)7-16(6-11)14(18)9-15(3)8-13(17)10-19-4/h11-13,17H,5-10H2,1-4H3
InChIKeyCAYRXOIWLSPFDO-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.43
Rot. Bonds6

About 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone (PubChem CID 62013810) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone
PubChem CID62013810
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone
SMILESCOCC(O)CN(C)CC(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C14H28N2O3/c1-11-5-12(2)7-16(6-11)14(18)9-15(3)8-13(17)10-19-4/h11-13,17H,5-10H2,1-4H3
InChIKeyCAYRXOIWLSPFDO-UHFFFAOYSA-N
XLogP0.43
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-morpholin-4-ylethanone
CID 62013792
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62016338
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(4-methylcyclohexyl)acetamide
CID 62013818
N-(cyclopropylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62016128
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone
CID 62015561
2-[2-hydroxypropyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
CID 62332786
N-cyclopropyl-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62015546
1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601586
1-[(2-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one
CID 62041400
2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 24697792
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide
CID 62014011
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid
CID 106991340

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone (CID 62013810) is 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone is COCC(O)CN(C)CC(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone?
The InChIKey is CAYRXOIWLSPFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11-5-12(2)7-16(6-11)14(18)9-15(3)8-13(17)10-19-4/h11-13,17H,5-10H2,1-4H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone has a molecular weight of 272.39 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone is sourced from PubChem (CID 62013810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).