[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone

C12H23N3O — CID 104872381

IUPAC[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
SMILESCN1CCN(C(=O)C2CC2(C)C)C(CN)C1
InChIInChI=1S/C12H23N3O/c1-12(2)6-10(12)11(16)15-5-4-14(3)8-9(15)7-13/h9-10H,4-8,13H2,1-3H3
InChIKeyZGDNYBFYYFNDIJ-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.13
Rot. Bonds2

About [2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone

[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone (PubChem CID 104872381) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
PubChem CID104872381
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
SMILESCN1CCN(C(=O)C2CC2(C)C)C(CN)C1
InChIInChI=1S/C12H23N3O/c1-12(2)6-10(12)11(16)15-5-4-14(3)8-9(15)7-13/h9-10H,4-8,13H2,1-3H3
InChIKeyZGDNYBFYYFNDIJ-UHFFFAOYSA-N
XLogP0.13
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid
CID 70037623
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 80504912
[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone
CID 80505035
[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 80504874
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylcyclohexyl)methanone
CID 106828078
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]prop-2-en-1-one
CID 80504839
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 80505057
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(thian-4-yl)ethanone
CID 83137766
2-(aminomethyl)-4-methyl-N-propylpiperazine-1-carboxamide
CID 80504793
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2-bicyclo[2.2.1]hept-5-enyl)methanone
CID 80504586
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(3-ethoxycyclobutyl)ethanone
CID 103165065
2-(aminomethyl)-N-butyl-4-methylpiperazine-1-carboxamide
CID 80504975

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone (CID 104872381) is [2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone is CN1CCN(C(=O)C2CC2(C)C)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
The InChIKey is ZGDNYBFYYFNDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(2)6-10(12)11(16)15-5-4-14(3)8-9(15)7-13/h9-10H,4-8,13H2,1-3H3.
What are the key properties of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone has a molecular weight of 225.34 g/mol, XLogP of 0.13, 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]-(2,2-dimethylcyclopropyl)methanone is sourced from PubChem (CID 104872381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).