[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone

C12H24N4O — CID 80504912

IUPAC[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
SMILESCN1CCC(C(=O)N2CCN(C)CC2CN)C1
InChIInChI=1S/C12H24N4O/c1-14-4-3-10(8-14)12(17)16-6-5-15(2)9-11(16)7-13/h10-11H,3-9,13H2,1-2H3
InChIKeyUOHZYLGRZSQESY-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.96
Rot. Bonds2

About [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone

[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone (PubChem CID 80504912) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
PubChem CID80504912
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
SMILESCN1CCC(C(=O)N2CCN(C)CC2CN)C1
InChIInChI=1S/C12H24N4O/c1-14-4-3-10(8-14)12(17)16-6-5-15(2)9-11(16)7-13/h10-11H,3-9,13H2,1-2H3
InChIKeyUOHZYLGRZSQESY-UHFFFAOYSA-N
XLogP-0.96
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone
CID 80505035
[2-(aminomethyl)pyrrolidin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 83619572
[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-methoxypiperidin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 112622258
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 104872381
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 80505057
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]prop-2-en-1-one
CID 80504839
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)-4-methyl-N-propylpiperazine-1-carboxamide
CID 80504793
3-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one
CID 116915570

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone (CID 80504912) is [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone is CN1CCC(C(=O)N2CCN(C)CC2CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone?
The InChIKey is UOHZYLGRZSQESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-14-4-3-10(8-14)12(17)16-6-5-15(2)9-11(16)7-13/h10-11H,3-9,13H2,1-2H3.
What are the key properties of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone?
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of -0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 80504912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).