ethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate

C10H21N3O2 — CID 80507351

IUPACethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(C)CC1CN
InChIInChI=1S/C10H21N3O2/c1-3-15-10(14)8-13-5-4-12(2)7-9(13)6-11/h9H,3-8,11H2,1-2H3
InChIKeyMONBMRQYJAKMLQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.88
Rot. Bonds4

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

ethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate (PubChem CID 80507351) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is ethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate
PubChem CID80507351
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Nameethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(C)CC1CN
InChIInChI=1S/C10H21N3O2/c1-3-15-10(14)8-13-5-4-12(2)7-9(13)6-11/h9H,3-8,11H2,1-2H3
InChIKeyMONBMRQYJAKMLQ-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

2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid
CID 80505933
methyl 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]propanoate
CID 80506811
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-tert-butylacetamide
CID 80507212
(4-methyl-1-pentylpiperazin-2-yl)methanamine
CID 80504437
ethyl 2-(1,4-dimethylpiperazin-2-yl)acetate;dihydrochloride
CID 90485290
[1-(2,3-dichloroprop-2-enyl)-4-methylpiperazin-2-yl]methanamine
CID 80506182
N-[2-[2-(aminomethyl)-4-methylpiperazin-1-yl]ethyl]acetamide
CID 80507319
ethyl 2-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]furan-3-carboxylate
CID 80506842
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 80507160
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 80506970
ethyl 2-[(2S)-2-ethylpiperidin-1-yl]acetate
CID 51697484
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 80505960

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate (CID 80507351) is ethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate is CCOC(=O)CN1CCN(C)CC1CN.
What is the InChIKey of ethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate?
The InChIKey is MONBMRQYJAKMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-3-15-10(14)8-13-5-4-12(2)7-9(13)6-11/h9H,3-8,11H2,1-2H3.
What are the key properties of ethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate?
ethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate 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 ethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate is sourced from PubChem (CID 80507351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).