3-(2-aminoethoxy)-1-(4-ethylpiperidin-1-yl)propan-1-one

C12H24N2O2 — CID 146558847

IUPAC3-(2-aminoethoxy)-1-(4-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCN(C(=O)CCOCCN)CC1
InChIInChI=1S/C12H24N2O2/c1-2-11-3-7-14(8-4-11)12(15)5-9-16-10-6-13/h11H,2-10,13H2,1H3
InChIKeyKABJUDMWTCLVBC-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds6

About 3-(2-aminoethoxy)-1-(4-ethylpiperidin-1-yl)propan-1-one

3-(2-aminoethoxy)-1-(4-ethylpiperidin-1-yl)propan-1-one (PubChem CID 146558847) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-1-(4-ethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-aminoethoxy)-1-(4-ethylpiperidin-1-yl)propan-1-one
PubChem CID146558847
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-(2-aminoethoxy)-1-(4-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCN(C(=O)CCOCCN)CC1
InChIInChI=1S/C12H24N2O2/c1-2-11-3-7-14(8-4-11)12(15)5-9-16-10-6-13/h11H,2-10,13H2,1H3
InChIKeyKABJUDMWTCLVBC-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 166478742
1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-methoxypropan-1-one
CID 167010737
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one
CID 79736848
7-amino-1-(4-ethylazepan-1-yl)heptan-1-one;hydrochloride
CID 119794873
2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone
CID 79473510
3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 58662028
1-(4-ethylpiperidin-1-yl)octan-1-one
CID 166490088
1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one
CID 82702018
1-(4-ethylpiperidin-1-yl)hex-5-yn-1-one
CID 89040804
1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid
CID 53211434
2-methoxyethyl 4-ethylpiperidine-1-carboxylate
CID 70658235
3-(tert-butylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 54873639

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-1-(4-ethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(2-aminoethoxy)-1-(4-ethylpiperidin-1-yl)propan-1-one (CID 146558847) is 3-(2-aminoethoxy)-1-(4-ethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-aminoethoxy)-1-(4-ethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-aminoethoxy)-1-(4-ethylpiperidin-1-yl)propan-1-one is CCC1CCN(C(=O)CCOCCN)CC1.
What is the InChIKey of 3-(2-aminoethoxy)-1-(4-ethylpiperidin-1-yl)propan-1-one?
The InChIKey is KABJUDMWTCLVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-11-3-7-14(8-4-11)12(15)5-9-16-10-6-13/h11H,2-10,13H2,1H3.
What are the key properties of 3-(2-aminoethoxy)-1-(4-ethylpiperidin-1-yl)propan-1-one?
3-(2-aminoethoxy)-1-(4-ethylpiperidin-1-yl)propan-1-one has a molecular weight of 228.34 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-1-(4-ethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 146558847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).