ethyl 2-(1,4-dimethylpiperazin-2-yl)acetate;dihydrochloride

C10H22Cl2N2O2 — CID 90485290

IUPACethyl 2-(1,4-dimethylpiperazin-2-yl)acetate;dihydrochloride
SMILESCCOC(=O)CC1CN(C)CCN1C.Cl.Cl
InChIInChI=1S/C10H20N2O2.2ClH/c1-4-14-10(13)7-9-8-11(2)5-6-12(9)3;;/h9H,4-8H2,1-3H3;2*1H
InChIKeyNAMJQJDRFHDLBI-UHFFFAOYSA-N
MW273.20 g/mol
LogP1.03
Rot. Bonds3

About ethyl 2-(1,4-dimethylpiperazin-2-yl)acetate;dihydrochloride

ethyl 2-(1,4-dimethylpiperazin-2-yl)acetate;dihydrochloride (PubChem CID 90485290) has the molecular formula C10H22Cl2N2O2 and a molecular weight of 273.20 g/mol. Its IUPAC name is ethyl 2-(1,4-dimethylpiperazin-2-yl)acetate;dihydrochloride.

Molecular Properties

Compound Nameethyl 2-(1,4-dimethylpiperazin-2-yl)acetate;dihydrochloride
PubChem CID90485290
Molecular FormulaC10H22Cl2N2O2
Molecular Weight273.20 g/mol
Exact Mass272.11
IUPAC Nameethyl 2-(1,4-dimethylpiperazin-2-yl)acetate;dihydrochloride
SMILESCCOC(=O)CC1CN(C)CCN1C.Cl.Cl
InChIInChI=1S/C10H20N2O2.2ClH/c1-4-14-10(13)7-9-8-11(2)5-6-12(9)3;;/h9H,4-8H2,1-3H3;2*1H
InChIKeyNAMJQJDRFHDLBI-UHFFFAOYSA-N
XLogP1.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate
CID 63896961
ethyl 3-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-methylpropanoate
CID 63896899
ethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate
CID 80507351
1-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-2-one
CID 115414648
butyl 2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetate
CID 63896903
ethyl 2-[(2S,6R)-6-(2-ethoxy-2-oxoethyl)-1-methylpiperidin-2-yl]acetate
CID 66591598
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 63898158
1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanone
CID 115414611
(2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate
CID 59843350
ethyl 1-[2-[(2R)-1,4-dimethylpiperazin-2-yl]acetyl]-4-(3-phenylpropyl)piperidine-4-carboxylate
CID 30704717
1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-one
CID 115414554
1-(2-bicyclo[2.2.1]heptanyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
CID 115414604

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,4-dimethylpiperazin-2-yl)acetate;dihydrochloride?
The IUPAC name of ethyl 2-(1,4-dimethylpiperazin-2-yl)acetate;dihydrochloride (CID 90485290) is ethyl 2-(1,4-dimethylpiperazin-2-yl)acetate;dihydrochloride.
What is the SMILES notation for ethyl 2-(1,4-dimethylpiperazin-2-yl)acetate;dihydrochloride?
The canonical SMILES for ethyl 2-(1,4-dimethylpiperazin-2-yl)acetate;dihydrochloride is CCOC(=O)CC1CN(C)CCN1C.Cl.Cl.
What is the InChIKey of ethyl 2-(1,4-dimethylpiperazin-2-yl)acetate;dihydrochloride?
The InChIKey is NAMJQJDRFHDLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.2ClH/c1-4-14-10(13)7-9-8-11(2)5-6-12(9)3;;/h9H,4-8H2,1-3H3;2*1H.
What are the key properties of ethyl 2-(1,4-dimethylpiperazin-2-yl)acetate;dihydrochloride?
ethyl 2-(1,4-dimethylpiperazin-2-yl)acetate;dihydrochloride has a molecular weight of 273.20 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,4-dimethylpiperazin-2-yl)acetate;dihydrochloride is sourced from PubChem (CID 90485290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).