ethyl 2-[(2R)-1,4-dimethylpiperazine-1,4-diium-2-yl]acetate

C10H22N2O2+2 — CID 7106894

IUPACethyl 2-[(2R)-1,4-dimethylpiperazine-1,4-diium-2-yl]acetate
SMILESCCOC(=O)C[C@@H]1C[NH+](C)CC[NH+]1C
InChIInChI=1S/C10H20N2O2/c1-4-14-10(13)7-9-8-11(2)5-6-12(9)3/h9H,4-8H2,1-3H3/p+2/t9-/m1/s1
InChIKeyYFKTVYCBQXXUNL-SECBINFHSA-P
MW202.30 g/mol
LogP-2.65
Rot. Bonds3

About ethyl 2-[(2R)-1,4-dimethylpiperazine-1,4-diium-2-yl]acetate

ethyl 2-[(2R)-1,4-dimethylpiperazine-1,4-diium-2-yl]acetate (PubChem CID 7106894) has the molecular formula C10H22N2O2+2 and a molecular weight of 202.30 g/mol. Its IUPAC name is ethyl 2-[(2R)-1,4-dimethylpiperazine-1,4-diium-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R)-1,4-dimethylpiperazine-1,4-diium-2-yl]acetate
PubChem CID7106894
Molecular FormulaC10H22N2O2+2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nameethyl 2-[(2R)-1,4-dimethylpiperazine-1,4-diium-2-yl]acetate
SMILESCCOC(=O)C[C@@H]1C[NH+](C)CC[NH+]1C
InChIInChI=1S/C10H20N2O2/c1-4-14-10(13)7-9-8-11(2)5-6-12(9)3/h9H,4-8H2,1-3H3/p+2/t9-/m1/s1
InChIKeyYFKTVYCBQXXUNL-SECBINFHSA-P
XLogP-2.65
TPSA35.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-2.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Amino-4-methoxy-4-oxobutyl)-trimethylazanium
CID 13393122
Ethyl 3-(piperazin-1-yl)propanoate
CID 2736466
(2-Amino-4-ethoxy-4-oxobutyl)-trimethylazanium
CID 13393124
3-(Methylamino)-4-(trimethylazaniumyl)butanoate
CID 44282670
Ethyl 2-(1,4-dimethylpiperazin-2-yl)acetate
CID 574748
Methyl 3-(3-methylpiperazin-1-yl)propanoate
CID 65449770
Methyl 4-(piperazin-1-yl)butanoate dihydrochloride
CID 165946673
Methyl 2-[6-(2-methoxy-2-oxoethyl)-1,4-dimethylpiperazin-2-yl]acetate
CID 135056336
Ethyl (5-methyl-3-oxopiperazin-2-yl)acetate
CID 74889538
Methyl 4-(piperazin-1-yl)butanoate
CID 43377669
Ethyl 3-[2-(fluoromethyl)piperazin-1-yl]propanoate
CID 118909354
ethyl 3-[(2S)-2-(fluoromethyl)piperazin-1-yl]propanoate
CID 118909355

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R)-1,4-dimethylpiperazine-1,4-diium-2-yl]acetate?
The IUPAC name of ethyl 2-[(2R)-1,4-dimethylpiperazine-1,4-diium-2-yl]acetate (CID 7106894) is ethyl 2-[(2R)-1,4-dimethylpiperazine-1,4-diium-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R)-1,4-dimethylpiperazine-1,4-diium-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2R)-1,4-dimethylpiperazine-1,4-diium-2-yl]acetate is CCOC(=O)C[C@@H]1C[NH+](C)CC[NH+]1C.
What is the InChIKey of ethyl 2-[(2R)-1,4-dimethylpiperazine-1,4-diium-2-yl]acetate?
The InChIKey is YFKTVYCBQXXUNL-SECBINFHSA-P. The full InChI is InChI=1S/C10H20N2O2/c1-4-14-10(13)7-9-8-11(2)5-6-12(9)3/h9H,4-8H2,1-3H3/p+2/t9-/m1/s1.
What are the key properties of ethyl 2-[(2R)-1,4-dimethylpiperazine-1,4-diium-2-yl]acetate?
ethyl 2-[(2R)-1,4-dimethylpiperazine-1,4-diium-2-yl]acetate has a molecular weight of 202.30 g/mol, XLogP of -2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-1,4-dimethylpiperazine-1,4-diium-2-yl]acetate is sourced from PubChem (CID 7106894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).