3-piperazin-1-ylpropanoic acid;dihydrochloride

C7H16Cl2N2O2 — CID 44717146

IUPAC3-piperazin-1-ylpropanoic acid;dihydrochloride
SMILESCl.Cl.O=C(O)CCN1CCNCC1
InChIInChI=1S/C7H14N2O2.2ClH/c10-7(11)1-4-9-5-2-8-3-6-9;;/h8H,1-6H2,(H,10,11);2*1H
InChIKeyFHJTYZRRHYNHGQ-UHFFFAOYSA-N
MW231.12 g/mol
LogP0.21
Rot. Bonds3

About 3-piperazin-1-ylpropanoic acid;dihydrochloride

3-piperazin-1-ylpropanoic acid;dihydrochloride (PubChem CID 44717146) has the molecular formula C7H16Cl2N2O2 and a molecular weight of 231.12 g/mol. Its IUPAC name is 3-piperazin-1-ylpropanoic acid;dihydrochloride.

Molecular Properties

Compound Name3-piperazin-1-ylpropanoic acid;dihydrochloride
PubChem CID44717146
Molecular FormulaC7H16Cl2N2O2
Molecular Weight231.12 g/mol
Exact Mass230.06
IUPAC Name3-piperazin-1-ylpropanoic acid;dihydrochloride
SMILESCl.Cl.O=C(O)CCN1CCNCC1
InChIInChI=1S/C7H14N2O2.2ClH/c10-7(11)1-4-9-5-2-8-3-6-9;;/h8H,1-6H2,(H,10,11);2*1H
InChIKeyFHJTYZRRHYNHGQ-UHFFFAOYSA-N
XLogP0.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-piperazin-1-ylpropanoic acid;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-ylpropanoic acid;dihydrochloride?
The IUPAC name of 3-piperazin-1-ylpropanoic acid;dihydrochloride (CID 44717146) is 3-piperazin-1-ylpropanoic acid;dihydrochloride.
What is the SMILES notation for 3-piperazin-1-ylpropanoic acid;dihydrochloride?
The canonical SMILES for 3-piperazin-1-ylpropanoic acid;dihydrochloride is Cl.Cl.O=C(O)CCN1CCNCC1.
What is the InChIKey of 3-piperazin-1-ylpropanoic acid;dihydrochloride?
The InChIKey is FHJTYZRRHYNHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.2ClH/c10-7(11)1-4-9-5-2-8-3-6-9;;/h8H,1-6H2,(H,10,11);2*1H.
What are the key properties of 3-piperazin-1-ylpropanoic acid;dihydrochloride?
3-piperazin-1-ylpropanoic acid;dihydrochloride has a molecular weight of 231.12 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylpropanoic acid;dihydrochloride is sourced from PubChem (CID 44717146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).