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

C11H21N3O2 — CID 80505057

IUPAC[2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCN1CCN(C(=O)C2CCCO2)C(CN)C1
InChIInChI=1S/C11H21N3O2/c1-13-4-5-14(9(7-12)8-13)11(15)10-3-2-6-16-10/h9-10H,2-8,12H2,1H3
InChIKeyGNCGMYRBYRVHQN-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.73
Rot. Bonds2

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

[2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 80505057) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID80505057
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name[2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCN1CCN(C(=O)C2CCCO2)C(CN)C1
InChIInChI=1S/C11H21N3O2/c1-13-4-5-14(9(7-12)8-13)11(15)10-3-2-6-16-10/h9-10H,2-8,12H2,1H3
InChIKeyGNCGMYRBYRVHQN-UHFFFAOYSA-N
XLogP-0.73
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 170205931
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 80504875
[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone
CID 80505035
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 104856469
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 80504912
[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 100836872
2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid
CID 70037623
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 79030400
[2-(hydroxymethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 61410730
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 115491882
[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 80504874
2-[1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]acetic acid
CID 104855615

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone (CID 80505057) is [2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone is CN1CCN(C(=O)C2CCCO2)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is GNCGMYRBYRVHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-13-4-5-14(9(7-12)8-13)11(15)10-3-2-6-16-10/h9-10H,2-8,12H2,1H3.
What are the key properties of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone?
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 227.31 g/mol, XLogP of -0.73, 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]-(oxolan-2-yl)methanone is sourced from PubChem (CID 80505057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).