1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(3-ethoxycyclobutyl)ethanone

C14H27N3O2 — CID 103165065

IUPAC1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)N2CCN(C)CC2CN)C1
InChIInChI=1S/C14H27N3O2/c1-3-19-13-6-11(7-13)8-14(18)17-5-4-16(2)10-12(17)9-15/h11-13H,3-10,15H2,1-2H3
InChIKeyZCUVZDZISHDEHQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.29
Rot. Bonds5

About 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(3-ethoxycyclobutyl)ethanone

1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(3-ethoxycyclobutyl)ethanone (PubChem CID 103165065) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(3-ethoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(3-ethoxycyclobutyl)ethanone
PubChem CID103165065
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)N2CCN(C)CC2CN)C1
InChIInChI=1S/C14H27N3O2/c1-3-19-13-6-11(7-13)8-14(18)17-5-4-16(2)10-12(17)9-15/h11-13H,3-10,15H2,1-2H3
InChIKeyZCUVZDZISHDEHQ-UHFFFAOYSA-N
XLogP0.29
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(thian-4-yl)ethanone
CID 83137766
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-propoxypropan-1-one
CID 80505095
2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid
CID 70037623
1-[2-(chloromethyl)azepan-1-yl]-2-(3-ethoxycyclobutyl)ethanone
CID 103166924
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]prop-2-en-1-one
CID 80504839
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 104872381
2-(3-ethoxycyclobutyl)-1-piperidin-1-ylethanone
CID 103164590
2-(3-ethoxycyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 103164675
ethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate
CID 80507351
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone
CID 103164939
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 80505019
1-(2,5-diethylpiperazin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103164983

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(3-ethoxycyclobutyl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(3-ethoxycyclobutyl)ethanone (CID 103165065) is 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(3-ethoxycyclobutyl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(3-ethoxycyclobutyl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(3-ethoxycyclobutyl)ethanone is CCOC1CC(CC(=O)N2CCN(C)CC2CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(3-ethoxycyclobutyl)ethanone?
The InChIKey is ZCUVZDZISHDEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-19-13-6-11(7-13)8-14(18)17-5-4-16(2)10-12(17)9-15/h11-13H,3-10,15H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(3-ethoxycyclobutyl)ethanone?
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(3-ethoxycyclobutyl)ethanone has a molecular weight of 269.39 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(3-ethoxycyclobutyl)ethanone is sourced from PubChem (CID 103165065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).