1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone

C15H28N2O2 — CID 103164939

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)N2CCC(C(C)N)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-3-19-14-8-12(9-14)10-15(18)17-6-4-13(5-7-17)11(2)16/h11-14H,3-10,16H2,1-2H3
InChIKeyRREIULLYTROVQJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.78
Rot. Bonds5

About 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone

1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone (PubChem CID 103164939) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone
PubChem CID103164939
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)N2CCC(C(C)N)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-3-19-14-8-12(9-14)10-15(18)17-6-4-13(5-7-17)11(2)16/h11-14H,3-10,16H2,1-2H3
InChIKeyRREIULLYTROVQJ-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxycyclobutyl)-1-piperidin-1-ylethanone
CID 103164590
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-methylcyclopentyl)ethanone;hydrochloride
CID 119519416
1-(3-chloropyrrolidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103166618
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 63594642
2-(4-aminocyclohexyl)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 55117063
1-[2-(3-ethoxycyclobutyl)acetyl]pyrrolidine-3-carboxylic acid
CID 103161885
2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]propanenitrile
CID 103163584
1-(3-amino-3-propylazetidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103166996
2-(3-ethoxycyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 103164675
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103165089
2-(3-ethoxycyclobutyl)-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103161328
2-(cyclopropylmethylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 61217045

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone (CID 103164939) is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone is CCOC1CC(CC(=O)N2CCC(C(C)N)CC2)C1.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone?
The InChIKey is RREIULLYTROVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-19-14-8-12(9-14)10-15(18)17-6-4-13(5-7-17)11(2)16/h11-14H,3-10,16H2,1-2H3.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone?
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone has a molecular weight of 268.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone is sourced from PubChem (CID 103164939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).