1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone

C11H22N2O3 — CID 103805372

IUPAC1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CCC(CN)CC1
InChIInChI=1S/C11H22N2O3/c1-15-6-7-16-9-11(14)13-4-2-10(8-12)3-5-13/h10H,2-9,12H2,1H3
InChIKeyJTBAGLTVXNQLLZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.15
Rot. Bonds6

About 1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone

1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone (PubChem CID 103805372) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone.

Molecular Properties

Compound Name1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone
PubChem CID103805372
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CCC(CN)CC1
InChIInChI=1S/C11H22N2O3/c1-15-6-7-16-9-11(14)13-4-2-10(8-12)3-5-13/h10H,2-9,12H2,1H3
InChIKeyJTBAGLTVXNQLLZ-UHFFFAOYSA-N
XLogP-0.15
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.15
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-[3-(aminomethyl)pyrrolidin-1-yl]-2-propoxyethanone;hydrochloride
CID 119484604
1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 113226406
1-(azepan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60716245
1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601645
1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid
CID 103400775
1-[4-(aminomethyl)piperidin-1-yl]-2-hydroxyethanone
CID 68628787
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555122
2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone
CID 79473510
3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63875309
4-[2-(2-methoxyethoxy)acetyl]piperazine-1-sulfonamide
CID 113235213
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)ethanone;hydrochloride
CID 119633758
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone;hydrochloride
CID 120814620

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone?
The IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone (CID 103805372) is 1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone.
What is the SMILES notation for 1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone?
The canonical SMILES for 1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone is COCCOCC(=O)N1CCC(CN)CC1.
What is the InChIKey of 1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone?
The InChIKey is JTBAGLTVXNQLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-15-6-7-16-9-11(14)13-4-2-10(8-12)3-5-13/h10H,2-9,12H2,1H3.
What are the key properties of 1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone?
1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone has a molecular weight of 230.31 g/mol, XLogP of -0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone is sourced from PubChem (CID 103805372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).