1-[4-(2-aminoethoxy)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one

C12H24N2O3 — CID 103022562

IUPAC1-[4-(2-aminoethoxy)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1CCC(OCCN)CC1
InChIInChI=1S/C12H24N2O3/c1-12(2,16-3)11(15)14-7-4-10(5-8-14)17-9-6-13/h10H,4-9,13H2,1-3H3
InChIKeyGTMVUGKHPHOASK-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.38
Rot. Bonds5

About 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one

1-[4-(2-aminoethoxy)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one (PubChem CID 103022562) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-aminoethoxy)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
PubChem CID103022562
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-[4-(2-aminoethoxy)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1CCC(OCCN)CC1
InChIInChI=1S/C12H24N2O3/c1-12(2,16-3)11(15)14-7-4-10(5-8-14)17-9-6-13/h10H,4-9,13H2,1-3H3
InChIKeyGTMVUGKHPHOASK-UHFFFAOYSA-N
XLogP0.38
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-aminoethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 82701727
1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one
CID 82702018
1-[4-(2-aminoethoxy)piperidin-1-yl]-4-methoxybutan-1-one
CID 82701031
tert-butyl (3S)-3-(2-aminoethoxy)pyrrolidine-1-carboxylate
CID 96551969
2-methoxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 103720323
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 103021611
[4-(2-aminoethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone
CID 82701030
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79737000
1-[4-(2-aminoethoxy)piperidin-1-yl]decan-1-one
CID 82688423
1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 103017482
2-amino-2-methyl-1-(4-propoxyazepan-1-yl)propan-1-one
CID 119321488
2-[4-(2-aminoethoxy)piperidin-1-yl]-N-tert-butylacetamide
CID 82693750

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one (CID 103022562) is 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one is COC(C)(C)C(=O)N1CCC(OCCN)CC1.
What is the InChIKey of 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one?
The InChIKey is GTMVUGKHPHOASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,16-3)11(15)14-7-4-10(5-8-14)17-9-6-13/h10H,4-9,13H2,1-3H3.
What are the key properties of 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one?
1-[4-(2-aminoethoxy)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one has a molecular weight of 244.33 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethoxy)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 103022562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).