2-ethoxy-2-piperazin-1-ylacetic acid;dihydrochloride

C8H18Cl2N2O3 — CID 174325240

IUPAC2-ethoxy-2-piperazin-1-ylacetic acid;dihydrochloride
SMILESCCOC(C(=O)O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C8H16N2O3.2ClH/c1-2-13-7(8(11)12)10-5-3-9-4-6-10;;/h7,9H,2-6H2,1H3,(H,11,12);2*1H
InChIKeySGKNMYGHWSODPV-UHFFFAOYSA-N
MW261.15 g/mol
LogP0.18
Rot. Bonds4

About 2-ethoxy-2-piperazin-1-ylacetic acid;dihydrochloride

2-ethoxy-2-piperazin-1-ylacetic acid;dihydrochloride (PubChem CID 174325240) has the molecular formula C8H18Cl2N2O3 and a molecular weight of 261.15 g/mol. Its IUPAC name is 2-ethoxy-2-piperazin-1-ylacetic acid;dihydrochloride.

Molecular Properties

Compound Name2-ethoxy-2-piperazin-1-ylacetic acid;dihydrochloride
PubChem CID174325240
Molecular FormulaC8H18Cl2N2O3
Molecular Weight261.15 g/mol
Exact Mass260.07
IUPAC Name2-ethoxy-2-piperazin-1-ylacetic acid;dihydrochloride
SMILESCCOC(C(=O)O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C8H16N2O3.2ClH/c1-2-13-7(8(11)12)10-5-3-9-4-6-10;;/h7,9H,2-6H2,1H3,(H,11,12);2*1H
InChIKeySGKNMYGHWSODPV-UHFFFAOYSA-N
XLogP0.18
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4,7-bis[carboxy-[(2-methylpropan-2-yl)oxy]methyl]-1,4,7,10-tetrazacyclododec-1-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 18795306
(2R)-2-piperazin-1-ylbutanoic acid
CID 7200835
2-(1-piperazin-1-ylethoxy)propanoic acid;dihydrochloride
CID 158208756
2-piperazin-1-ylbutanedioic acid;dihydrochloride
CID 68966423
2-(1,4-diazepan-1-yl)butanoic acid
CID 60992815
ethyl 3-methyl-2-piperazin-1-ylpentanoate
CID 61319359
2-ethoxy-2-imidazolidin-1-ylethanol
CID 174867587
2-(2-ethoxy-2-piperazin-1-ylethoxy)ethanol
CID 70621465
2-ethoxy-3-oxo-3-piperazin-1-ylpropanal
CID 173294879
(2R)-3,3-dimethyl-2-piperazin-1-ylbutanoic acid
CID 97170402
2-(7-methyl-1,4,7,10-tetrazacyclododec-1-yl)propanedioic acid
CID 59046607
2-[4-(1-carboxy-2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]-3-hydroxypropanoic acid
CID 57254174

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-piperazin-1-ylacetic acid;dihydrochloride?
The IUPAC name of 2-ethoxy-2-piperazin-1-ylacetic acid;dihydrochloride (CID 174325240) is 2-ethoxy-2-piperazin-1-ylacetic acid;dihydrochloride.
What is the SMILES notation for 2-ethoxy-2-piperazin-1-ylacetic acid;dihydrochloride?
The canonical SMILES for 2-ethoxy-2-piperazin-1-ylacetic acid;dihydrochloride is CCOC(C(=O)O)N1CCNCC1.Cl.Cl.
What is the InChIKey of 2-ethoxy-2-piperazin-1-ylacetic acid;dihydrochloride?
The InChIKey is SGKNMYGHWSODPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3.2ClH/c1-2-13-7(8(11)12)10-5-3-9-4-6-10;;/h7,9H,2-6H2,1H3,(H,11,12);2*1H.
What are the key properties of 2-ethoxy-2-piperazin-1-ylacetic acid;dihydrochloride?
2-ethoxy-2-piperazin-1-ylacetic acid;dihydrochloride has a molecular weight of 261.15 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-piperazin-1-ylacetic acid;dihydrochloride is sourced from PubChem (CID 174325240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).