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

C12H24N2O3 — CID 82701031

IUPAC1-[4-(2-aminoethoxy)piperidin-1-yl]-4-methoxybutan-1-one
SMILESCOCCCC(=O)N1CCC(OCCN)CC1
InChIInChI=1S/C12H24N2O3/c1-16-9-2-3-12(15)14-7-4-11(5-8-14)17-10-6-13/h11H,2-10,13H2,1H3
InChIKeyJLDAUHKZVPUWFB-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.38
Rot. Bonds7

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

1-[4-(2-aminoethoxy)piperidin-1-yl]-4-methoxybutan-1-one (PubChem CID 82701031) 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]-4-methoxybutan-1-one.

Molecular Properties

Compound Name1-[4-(2-aminoethoxy)piperidin-1-yl]-4-methoxybutan-1-one
PubChem CID82701031
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-[4-(2-aminoethoxy)piperidin-1-yl]-4-methoxybutan-1-one
SMILESCOCCCC(=O)N1CCC(OCCN)CC1
InChIInChI=1S/C12H24N2O3/c1-16-9-2-3-12(15)14-7-4-11(5-8-14)17-10-6-13/h11H,2-10,13H2,1H3
InChIKeyJLDAUHKZVPUWFB-UHFFFAOYSA-N
XLogP0.38
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-aminoethoxy)piperidin-1-yl]decan-1-one
CID 82688423
1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one
CID 82702018
4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one
CID 54872251
6-[4-(methoxymethoxy)piperidin-1-yl]-6-oxohexanamide
CID 67938018
1-[4-(3-aminopropoxy)piperidin-1-yl]-5-methylsulfanylpentan-1-one;hydrochloride
CID 119662263
4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]butan-1-one
CID 82693325
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-methylsulfanylpropan-1-one;hydrochloride
CID 119664051
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one
CID 79736848
1-[4-(2-aminoethoxy)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 82688051
2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869728
1-[4-(2-aminoethoxy)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 103022562
1-[4-(2-aminoethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 82701727

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethoxy)piperidin-1-yl]-4-methoxybutan-1-one?
The IUPAC name of 1-[4-(2-aminoethoxy)piperidin-1-yl]-4-methoxybutan-1-one (CID 82701031) is 1-[4-(2-aminoethoxy)piperidin-1-yl]-4-methoxybutan-1-one.
What is the SMILES notation for 1-[4-(2-aminoethoxy)piperidin-1-yl]-4-methoxybutan-1-one?
The canonical SMILES for 1-[4-(2-aminoethoxy)piperidin-1-yl]-4-methoxybutan-1-one is COCCCC(=O)N1CCC(OCCN)CC1.
What is the InChIKey of 1-[4-(2-aminoethoxy)piperidin-1-yl]-4-methoxybutan-1-one?
The InChIKey is JLDAUHKZVPUWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-16-9-2-3-12(15)14-7-4-11(5-8-14)17-10-6-13/h11H,2-10,13H2,1H3.
What are the key properties of 1-[4-(2-aminoethoxy)piperidin-1-yl]-4-methoxybutan-1-one?
1-[4-(2-aminoethoxy)piperidin-1-yl]-4-methoxybutan-1-one has a molecular weight of 244.33 g/mol, XLogP of 0.38, 7 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]-4-methoxybutan-1-one is sourced from PubChem (CID 82701031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).