2-(1-piperazin-1-ylethoxy)propanoic acid;dihydrochloride

C9H20Cl2N2O3 — CID 158208756

IUPAC2-(1-piperazin-1-ylethoxy)propanoic acid;dihydrochloride
SMILESCC(OC(C)N1CCNCC1)C(=O)O.Cl.Cl
InChIInChI=1S/C9H18N2O3.2ClH/c1-7(9(12)13)14-8(2)11-5-3-10-4-6-11;;/h7-8,10H,3-6H2,1-2H3,(H,12,13);2*1H
InChIKeyGBURJDLPGAIRES-UHFFFAOYSA-N
MW275.18 g/mol
LogP0.57
Rot. Bonds4

About 2-(1-piperazin-1-ylethoxy)propanoic acid;dihydrochloride

2-(1-piperazin-1-ylethoxy)propanoic acid;dihydrochloride (PubChem CID 158208756) has the molecular formula C9H20Cl2N2O3 and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-(1-piperazin-1-ylethoxy)propanoic acid;dihydrochloride.

Molecular Properties

Compound Name2-(1-piperazin-1-ylethoxy)propanoic acid;dihydrochloride
PubChem CID158208756
Molecular FormulaC9H20Cl2N2O3
Molecular Weight275.18 g/mol
Exact Mass274.09
IUPAC Name2-(1-piperazin-1-ylethoxy)propanoic acid;dihydrochloride
SMILESCC(OC(C)N1CCNCC1)C(=O)O.Cl.Cl
InChIInChI=1S/C9H18N2O3.2ClH/c1-7(9(12)13)14-8(2)11-5-3-10-4-6-11;;/h7-8,10H,3-6H2,1-2H3,(H,12,13);2*1H
InChIKeyGBURJDLPGAIRES-UHFFFAOYSA-N
XLogP0.57
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-methyl-1,4,7,10-tetrazacyclododec-1-yl)propanoic acid
CID 58654629
2-ethoxy-2-piperazin-1-ylacetic acid;dihydrochloride
CID 174325240
2-piperazin-1-ylpropanamide;dihydrochloride
CID 54593431
(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
(E)-but-2-enedioic acid;1-propan-2-ylpiperazine
CID 70108433
(2R)-2-piperazin-1-ylbutanoic acid
CID 7200835
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
2-[4,7-bis(1-carboxy-2,2-dimethylpropyl)-1,4,7,10-tetrazacyclododec-1-yl]-3,3-dimethylbutanoic acid
CID 67200360
2-piperazin-1-ylbutanedioic acid;dihydrochloride
CID 68966423
1-(azepan-1-yl)-2-(1,4-diazepan-1-yl)propan-1-one;hydrochloride
CID 119925291
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-(1-piperazin-1-ylethoxy)propanoic acid;dihydrochloride?
The IUPAC name of 2-(1-piperazin-1-ylethoxy)propanoic acid;dihydrochloride (CID 158208756) is 2-(1-piperazin-1-ylethoxy)propanoic acid;dihydrochloride.
What is the SMILES notation for 2-(1-piperazin-1-ylethoxy)propanoic acid;dihydrochloride?
The canonical SMILES for 2-(1-piperazin-1-ylethoxy)propanoic acid;dihydrochloride is CC(OC(C)N1CCNCC1)C(=O)O.Cl.Cl.
What is the InChIKey of 2-(1-piperazin-1-ylethoxy)propanoic acid;dihydrochloride?
The InChIKey is GBURJDLPGAIRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3.2ClH/c1-7(9(12)13)14-8(2)11-5-3-10-4-6-11;;/h7-8,10H,3-6H2,1-2H3,(H,12,13);2*1H.
What are the key properties of 2-(1-piperazin-1-ylethoxy)propanoic acid;dihydrochloride?
2-(1-piperazin-1-ylethoxy)propanoic acid;dihydrochloride has a molecular weight of 275.18 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperazin-1-ylethoxy)propanoic acid;dihydrochloride is sourced from PubChem (CID 158208756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).