ethyl 2-methylpiperazine-1-carboxylate;hydrochloride

C8H17ClN2O2 — CID 118918526

IUPACethyl 2-methylpiperazine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCNCC1C.Cl
InChIInChI=1S/C8H16N2O2.ClH/c1-3-12-8(11)10-5-4-9-6-7(10)2;/h7,9H,3-6H2,1-2H3;1H
InChIKeyLKZPQZHXKWIKQY-UHFFFAOYSA-N
MW208.69 g/mol
LogP0.86
Rot. Bonds1

About ethyl 2-methylpiperazine-1-carboxylate;hydrochloride

ethyl 2-methylpiperazine-1-carboxylate;hydrochloride (PubChem CID 118918526) has the molecular formula C8H17ClN2O2 and a molecular weight of 208.69 g/mol. Its IUPAC name is ethyl 2-methylpiperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-methylpiperazine-1-carboxylate;hydrochloride
PubChem CID118918526
Molecular FormulaC8H17ClN2O2
Molecular Weight208.69 g/mol
Exact Mass208.10
IUPAC Nameethyl 2-methylpiperazine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCNCC1C.Cl
InChIInChI=1S/C8H16N2O2.ClH/c1-3-12-8(11)10-5-4-9-6-7(10)2;/h7,9H,3-6H2,1-2H3;1H
InChIKeyLKZPQZHXKWIKQY-UHFFFAOYSA-N
XLogP0.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 70918230
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(2S)-2-methylpiperazine-1-carboxamide
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1-[(2S)-2-methylpiperazin-1-yl]ethanone
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CID 55300442
2-ethylsulfonyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119472127
ethyl 2-(2-methylpiperazin-1-yl)acetate
CID 62672980
[2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl] acetate
CID 146597799
prop-2-enyl 2-methyl-1,4-diazepane-1-carboxylate
CID 82241160
4-ethoxy-1-[(2S)-2-methylpiperazin-1-yl]butan-1-one
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylpiperazine-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-methylpiperazine-1-carboxylate;hydrochloride (CID 118918526) is ethyl 2-methylpiperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-methylpiperazine-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-methylpiperazine-1-carboxylate;hydrochloride is CCOC(=O)N1CCNCC1C.Cl.
What is the InChIKey of ethyl 2-methylpiperazine-1-carboxylate;hydrochloride?
The InChIKey is LKZPQZHXKWIKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.ClH/c1-3-12-8(11)10-5-4-9-6-7(10)2;/h7,9H,3-6H2,1-2H3;1H.
What are the key properties of ethyl 2-methylpiperazine-1-carboxylate;hydrochloride?
ethyl 2-methylpiperazine-1-carboxylate;hydrochloride has a molecular weight of 208.69 g/mol, XLogP of 0.86, 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;hydrochloride is sourced from PubChem (CID 118918526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).