[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone

C11H21N3O — CID 80505035

IUPAC[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone
SMILESCN1CCN(C(=O)C2CCC2)C(CN)C1
InChIInChI=1S/C11H21N3O/c1-13-5-6-14(10(7-12)8-13)11(15)9-3-2-4-9/h9-10H,2-8,12H2,1H3
InChIKeyRIOGIVFTYZTQGM-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.11
Rot. Bonds2

About [2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone

[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone (PubChem CID 80505035) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone
PubChem CID80505035
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone
SMILESCN1CCN(C(=O)C2CCC2)C(CN)C1
InChIInChI=1S/C11H21N3O/c1-13-5-6-14(10(7-12)8-13)11(15)9-3-2-4-9/h9-10H,2-8,12H2,1H3
InChIKeyRIOGIVFTYZTQGM-UHFFFAOYSA-N
XLogP-0.11
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 80504912
[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 80504874
2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid
CID 70037623
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 80505057
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 104872381
[2-(aminomethyl)pyrrolidin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 83619572
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]prop-2-en-1-one
CID 80504839
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylcyclohexyl)methanone
CID 106828078
2-(aminomethyl)-N-[4-(aminomethyl)cyclohexyl]-4-methylpiperazine-1-carboxamide
CID 167769557
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(thian-4-yl)ethanone
CID 83137766
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
2-(aminomethyl)-4-methyl-N-propylpiperazine-1-carboxamide
CID 80504793

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone?
The IUPAC name of [2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone (CID 80505035) is [2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone is CN1CCN(C(=O)C2CCC2)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone?
The InChIKey is RIOGIVFTYZTQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-13-5-6-14(10(7-12)8-13)11(15)9-3-2-4-9/h9-10H,2-8,12H2,1H3.
What are the key properties of [2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone?
[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone has a molecular weight of 211.31 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 80505035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).