2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone

C14H29N3O2 — CID 79473510

IUPAC2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone
SMILESCCN(CC)CC1CCN(C(=O)COCCN)CC1
InChIInChI=1S/C14H29N3O2/c1-3-16(4-2)11-13-5-8-17(9-6-13)14(18)12-19-10-7-15/h13H,3-12,15H2,1-2H3
InChIKeyCOECMZJJIHYHJZ-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.54
Rot. Bonds8

About 2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone

2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone (PubChem CID 79473510) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone
PubChem CID79473510
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone
SMILESCCN(CC)CC1CCN(C(=O)COCCN)CC1
InChIInChI=1S/C14H29N3O2/c1-3-16(4-2)11-13-5-8-17(9-6-13)14(18)12-19-10-7-15/h13H,3-12,15H2,1-2H3
InChIKeyCOECMZJJIHYHJZ-UHFFFAOYSA-N
XLogP0.54
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.54
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-(diethylaminomethyl)piperidin-1-yl]propan-1-one
CID 60776234
1-[2-(2-aminoethoxy)acetyl]-N,N-dimethylpiperidine-4-carboxamide
CID 79474031
3-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]butan-1-one
CID 54874480
1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 103805372
2-[1-[2-(2-aminoethoxy)acetyl]pyrrolidin-3-yl]acetic acid
CID 79478387
N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]acetamide
CID 112701787
3-(2-aminoethoxy)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 146558847
5-[4-(diethylaminomethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 60951540
N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 79473160
2-(2-aminoethoxy)-1-(4-propylpiperazin-1-yl)ethanone
CID 79463496
(1-aminocyclobutyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 81172457
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-propoxyethanone;hydrochloride
CID 119484604

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone (CID 79473510) is 2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone is CCN(CC)CC1CCN(C(=O)COCCN)CC1.
What is the InChIKey of 2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone?
The InChIKey is COECMZJJIHYHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-3-16(4-2)11-13-5-8-17(9-6-13)14(18)12-19-10-7-15/h13H,3-12,15H2,1-2H3.
What are the key properties of 2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone?
2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone has a molecular weight of 271.40 g/mol, XLogP of 0.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 79473510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).