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

C9H18N2O2 — CID 62672980

IUPACethyl 2-(2-methylpiperazin-1-yl)acetate
SMILESCCOC(=O)CN1CCNCC1C
InChIInChI=1S/C9H18N2O2/c1-3-13-9(12)7-11-5-4-10-6-8(11)2/h8,10H,3-7H2,1-2H3
InChIKeyUPQFAVFFMKJNQH-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.16
Rot. Bonds3

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

ethyl 2-(2-methylpiperazin-1-yl)acetate (PubChem CID 62672980) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl 2-(2-methylpiperazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methylpiperazin-1-yl)acetate
PubChem CID62672980
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nameethyl 2-(2-methylpiperazin-1-yl)acetate
SMILESCCOC(=O)CN1CCNCC1C
InChIInChI=1S/C9H18N2O2/c1-3-13-9(12)7-11-5-4-10-6-8(11)2/h8,10H,3-7H2,1-2H3
InChIKeyUPQFAVFFMKJNQH-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 2-(2-iodopiperazin-1-yl)acetate
CID 69046022
ethyl 2-(2-cyanopiperazin-1-yl)acetate
CID 79085208
ethyl 2-[(2S)-2-methyl-5-oxo-1,4-diazepan-1-yl]acetate
CID 95203870
ethyl 2-(2-methyl-5-oxo-1,4-diazepan-1-yl)acetate
CID 56713202
2-[(2S)-2-methylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 82705954
N-methyl-2-(2-methylpiperazin-1-yl)acetamide
CID 62674057
ethyl 2-methylpiperazine-1-carboxylate;hydrochloride
CID 118918526
N-(methylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673678
2-[(2R)-2-methylpiperazin-1-yl]-N-propylacetamide
CID 82713907
methyl 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]propanoate
CID 82760949
(2R)-1-ethyl-2-methylpiperazine;2,2,2-trifluoroacetic acid
CID 146455396
2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone;hydrochloride
CID 119916547

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylpiperazin-1-yl)acetate?
The IUPAC name of ethyl 2-(2-methylpiperazin-1-yl)acetate (CID 62672980) is ethyl 2-(2-methylpiperazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2-methylpiperazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(2-methylpiperazin-1-yl)acetate is CCOC(=O)CN1CCNCC1C.
What is the InChIKey of ethyl 2-(2-methylpiperazin-1-yl)acetate?
The InChIKey is UPQFAVFFMKJNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-13-9(12)7-11-5-4-10-6-8(11)2/h8,10H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(2-methylpiperazin-1-yl)acetate?
ethyl 2-(2-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-(2-methylpiperazin-1-yl)acetate is sourced from PubChem (CID 62672980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).