ethyl 2-(3-methylpiperazin-1-yl)acetate

C9H18N2O2 — CID 65450169

IUPACethyl 2-(3-methylpiperazin-1-yl)acetate
SMILESCCOC(=O)CN1CCNC(C)C1
InChIInChI=1S/C9H18N2O2/c1-3-13-9(12)7-11-5-4-10-8(2)6-11/h8,10H,3-7H2,1-2H3
InChIKeyYSXZDHIOCUEWQX-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.16
Rot. Bonds3

About ethyl 2-(3-methylpiperazin-1-yl)acetate

ethyl 2-(3-methylpiperazin-1-yl)acetate (PubChem CID 65450169) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl 2-(3-methylpiperazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methylpiperazin-1-yl)acetate
PubChem CID65450169
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nameethyl 2-(3-methylpiperazin-1-yl)acetate
SMILESCCOC(=O)CN1CCNC(C)C1
InChIInChI=1S/C9H18N2O2/c1-3-13-9(12)7-11-5-4-10-8(2)6-11/h8,10H,3-7H2,1-2H3
InChIKeyYSXZDHIOCUEWQX-UHFFFAOYSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-(3-methylpiperazin-1-yl)acetyl]carbamate
CID 65450366
ethyl 4-[[2-[(3S)-3-methylpiperazin-1-yl]acetyl]amino]butanoate
CID 104976711
tert-butyl 2-[(3S)-3-methylpiperazin-1-yl]acetate
CID 104976913
N-carbamoyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976909
ethyl 2-(3-ethylpyrrolidin-1-yl)acetate
CID 115688617
(3S)-3-methyl-1-(2-methylidenebutyl)piperazine
CID 104977151
sodium;ethyl 2-[4,7,10-tris(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;iodide
CID 23722784
ethyl 2-[(3R)-4-tert-butyl-3-methylpiperazin-1-yl]acetate
CID 159242052
ethyl 2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]acetate
CID 97053910
ethyl 2-(3-propylpyrrolidin-1-yl)acetate
CID 115667565
ethyl 2-[4,8-bis(2-ethoxy-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetate
CID 59227643
2-[(3R)-3-methylpiperazin-1-yl]-N-pentan-2-ylacetamide
CID 104975433

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methylpiperazin-1-yl)acetate?
The IUPAC name of ethyl 2-(3-methylpiperazin-1-yl)acetate (CID 65450169) is ethyl 2-(3-methylpiperazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-methylpiperazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-methylpiperazin-1-yl)acetate is CCOC(=O)CN1CCNC(C)C1.
What is the InChIKey of ethyl 2-(3-methylpiperazin-1-yl)acetate?
The InChIKey is YSXZDHIOCUEWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-13-9(12)7-11-5-4-10-8(2)6-11/h8,10H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(3-methylpiperazin-1-yl)acetate?
ethyl 2-(3-methylpiperazin-1-yl)acetate has a molecular weight of 186.25 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methylpiperazin-1-yl)acetate is sourced from PubChem (CID 65450169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).