2-piperazin-1-ylbutanoic acid;dihydrochloride

C8H18Cl2N2O2 — CID 17118508

IUPAC2-piperazin-1-ylbutanoic acid;dihydrochloride
SMILESCCC(C(=O)O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C8H16N2O2.2ClH/c1-2-7(8(11)12)10-5-3-9-4-6-10;;/h7,9H,2-6H2,1H3,(H,11,12);2*1H
InChIKeyNMACLUOHDUQDIK-UHFFFAOYSA-N
MW245.15 g/mol
LogP0.60
Rot. Bonds3

About 2-piperazin-1-ylbutanoic acid;dihydrochloride

2-piperazin-1-ylbutanoic acid;dihydrochloride (PubChem CID 17118508) has the molecular formula C8H18Cl2N2O2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 2-piperazin-1-ylbutanoic acid;dihydrochloride.

Molecular Properties

Compound Name2-piperazin-1-ylbutanoic acid;dihydrochloride
PubChem CID17118508
Molecular FormulaC8H18Cl2N2O2
Molecular Weight245.15 g/mol
Exact Mass244.07
IUPAC Name2-piperazin-1-ylbutanoic acid;dihydrochloride
SMILESCCC(C(=O)O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C8H16N2O2.2ClH/c1-2-7(8(11)12)10-5-3-9-4-6-10;;/h7,9H,2-6H2,1H3,(H,11,12);2*1H
InChIKeyNMACLUOHDUQDIK-UHFFFAOYSA-N
XLogP0.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylbutanoic acid;dihydrochloride?
The IUPAC name of 2-piperazin-1-ylbutanoic acid;dihydrochloride (CID 17118508) is 2-piperazin-1-ylbutanoic acid;dihydrochloride.
What is the SMILES notation for 2-piperazin-1-ylbutanoic acid;dihydrochloride?
The canonical SMILES for 2-piperazin-1-ylbutanoic acid;dihydrochloride is CCC(C(=O)O)N1CCNCC1.Cl.Cl.
What is the InChIKey of 2-piperazin-1-ylbutanoic acid;dihydrochloride?
The InChIKey is NMACLUOHDUQDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.2ClH/c1-2-7(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-piperazin-1-ylbutanoic acid;dihydrochloride?
2-piperazin-1-ylbutanoic acid;dihydrochloride has a molecular weight of 245.15 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylbutanoic acid;dihydrochloride is sourced from PubChem (CID 17118508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).