methyl 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]propanoate

C10H21N3O2 — CID 80506811

IUPACmethyl 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(C)CC1CN
InChIInChI=1S/C10H21N3O2/c1-12-5-6-13(9(7-11)8-12)4-3-10(14)15-2/h9H,3-8,11H2,1-2H3
InChIKeyCHCFUHRYLNNGMR-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.88
Rot. Bonds4

About methyl 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]propanoate

methyl 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]propanoate (PubChem CID 80506811) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is methyl 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]propanoate
PubChem CID80506811
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Namemethyl 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(C)CC1CN
InChIInChI=1S/C10H21N3O2/c1-12-5-6-13(9(7-11)8-12)4-3-10(14)15-2/h9H,3-8,11H2,1-2H3
InChIKeyCHCFUHRYLNNGMR-UHFFFAOYSA-N
XLogP-0.88
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(aminomethyl)-4-methylpiperazin-1-yl]ethyl]acetamide
CID 80507319
ethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate
CID 80507351
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid
CID 80505933
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperazin-2-yl]methanamine
CID 104565227
(4-methyl-1-pentylpiperazin-2-yl)methanamine
CID 80504437
methyl 4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]benzoate
CID 80505658
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-tert-butylacetamide
CID 80507212
methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate
CID 51697486
2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid
CID 70037623
(1-hept-6-enyl-4-methylpiperazin-2-yl)methanamine
CID 107008055
ethyl (2R)-1-(3-methoxy-3-oxopropyl)aziridine-2-carboxylate
CID 2053588
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 80505960

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]propanoate (CID 80506811) is methyl 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]propanoate is COC(=O)CCN1CCN(C)CC1CN.
What is the InChIKey of methyl 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]propanoate?
The InChIKey is CHCFUHRYLNNGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-12-5-6-13(9(7-11)8-12)4-3-10(14)15-2/h9H,3-8,11H2,1-2H3.
What are the key properties of methyl 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]propanoate?
methyl 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]propanoate has a molecular weight of 215.30 g/mol, XLogP of -0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]propanoate is sourced from PubChem (CID 80506811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).