1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one

C11H22N2O2 — CID 63755020

IUPAC1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCCCC1CCN
InChIInChI=1S/C11H22N2O2/c1-15-9-6-11(14)13-8-3-2-4-10(13)5-7-12/h10H,2-9,12H2,1H3
InChIKeyHIATXLLOUWLZEC-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds5

About 1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one

1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one (PubChem CID 63755020) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one
PubChem CID63755020
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCCCC1CCN
InChIInChI=1S/C11H22N2O2/c1-15-9-6-11(14)13-8-3-2-4-10(13)5-7-12/h10H,2-9,12H2,1H3
InChIKeyHIATXLLOUWLZEC-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-aminopropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 63767297
1-[2-(2-aminoethyl)piperidin-1-yl]butan-1-one
CID 63754291
1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one
CID 167776443
3-methoxy-1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 95111813
3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579984
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 62589501
2-hydroxy-1-[2-(2-methoxyethyl)piperidin-1-yl]ethanone
CID 77474029
1-[2-(2-aminoethyl)pyrrolidin-1-yl]heptan-1-one
CID 90749675
1-[2-(2-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 82354475
3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 83624626
1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 63755741
1-[2-(hydroxymethyl)azepan-1-yl]-4-methoxybutan-1-one
CID 116635836

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one (CID 63755020) is 1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCCCC1CCN.
What is the InChIKey of 1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one?
The InChIKey is HIATXLLOUWLZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-15-9-6-11(14)13-8-3-2-4-10(13)5-7-12/h10H,2-9,12H2,1H3.
What are the key properties of 1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one?
1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 63755020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).