ethyl 2-methylpiperazine-1-carboxylate

C8H16N2O2 — CID 14722554

IUPACethyl 2-methylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCNCC1C
InChIInChI=1S/C8H16N2O2/c1-3-12-8(11)10-5-4-9-6-7(10)2/h7,9H,3-6H2,1-2H3
InChIKeyCWPSTZCYESJGPF-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.44
Rot. Bonds1

About ethyl 2-methylpiperazine-1-carboxylate

ethyl 2-methylpiperazine-1-carboxylate (PubChem CID 14722554) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is ethyl 2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-methylpiperazine-1-carboxylate
PubChem CID14722554
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Nameethyl 2-methylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCNCC1C
InChIInChI=1S/C8H16N2O2/c1-3-12-8(11)10-5-4-9-6-7(10)2/h7,9H,3-6H2,1-2H3
InChIKeyCWPSTZCYESJGPF-UHFFFAOYSA-N
XLogP0.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-methylpiperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Piperazinecarboxylic acid, ethyl ester
CID 8431
(S)-1-Boc-3-methylpiperazine
CID 7023035
tert-Butyl (2S)-2-methylpiperazine-1-carboxylate
CID 10081508
1-Piperidinecarboxylic acid, 4-(methylamino)-, ethyl ester
CID 11063140
Ethyl 4-amino-1-piperidinecarboxylate
CID 100867
1-Piperazinecarboxylic acid, ethyl ester, hydrochloride (1:1)
CID 90438
tert-Butyl 3-methylpiperazine-1-carboxylate
CID 2756810
1-Boc-3,3-dimethylpiperazine
CID 22710387
tert-Butyl 3-(propan-2-yl)piperazine-1-carboxylate
CID 44558596
(R)-1-Boc-3-methylpiperazine
CID 2756811
1,4-Piperazinedicarboxylic acid, 2-methyl-, diethyl ester
CID 95589
Ethyl 4-(butan-2-yl)piperazine-1-carboxylate
CID 115502

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylpiperazine-1-carboxylate?
The IUPAC name of ethyl 2-methylpiperazine-1-carboxylate (CID 14722554) is ethyl 2-methylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 2-methylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 2-methylpiperazine-1-carboxylate is CCOC(=O)N1CCNCC1C.
What is the InChIKey of ethyl 2-methylpiperazine-1-carboxylate?
The InChIKey is CWPSTZCYESJGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-12-8(11)10-5-4-9-6-7(10)2/h7,9H,3-6H2,1-2H3.
What are the key properties of ethyl 2-methylpiperazine-1-carboxylate?
ethyl 2-methylpiperazine-1-carboxylate has a molecular weight of 172.23 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 14722554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).