piperazine-2-carboxylic acid;quinoline

C14H17N3O2 — CID 160554290

IUPACpiperazine-2-carboxylic acid;quinoline
SMILESO=C(O)C1CNCCN1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C5H10N2O2/c1-2-6-9-8(4-1)5-3-7-10-9;8-5(9)4-3-6-1-2-7-4/h1-7H;4,6-7H,1-3H2,(H,8,9)
InChIKeyQYMAKZXFSZWANE-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.87
Rot. Bonds1

About piperazine-2-carboxylic acid;quinoline

piperazine-2-carboxylic acid;quinoline (PubChem CID 160554290) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is piperazine-2-carboxylic acid;quinoline.

Molecular Properties

Compound Namepiperazine-2-carboxylic acid;quinoline
PubChem CID160554290
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namepiperazine-2-carboxylic acid;quinoline
SMILESO=C(O)C1CNCCN1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C5H10N2O2/c1-2-6-9-8(4-1)5-3-7-10-9;8-5(9)4-3-6-1-2-7-4/h1-7H;4,6-7H,1-3H2,(H,8,9)
InChIKeyQYMAKZXFSZWANE-UHFFFAOYSA-N
XLogP0.87
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

piperazine;quinoline;hydrochloride
CID 161171284
carbonic acid;quinoline
CID 23206844
piperazine-2-carboxylic acid
CID 2723758
acetic acid;quinoline
CID 67159702
CID 174778702
CID 174778702
quinoline
CID 76974643
2-amino-5-(diaminomethylideneamino)pentanoic acid;benzo[h]quinoline;piperazine-2-carboxylic acid;hydrochloride
CID 174603325
2,2-dichloroacetic acid;quinoline
CID 173189076
hydron;quinoline
CID 131854096
quinoline;silver
CID 88761492
osmium(2+);quinoline
CID 158407120
CID 175273158
CID 175273158

Frequently Asked Questions

What is the IUPAC name of piperazine-2-carboxylic acid;quinoline?
The IUPAC name of piperazine-2-carboxylic acid;quinoline (CID 160554290) is piperazine-2-carboxylic acid;quinoline.
What is the SMILES notation for piperazine-2-carboxylic acid;quinoline?
The canonical SMILES for piperazine-2-carboxylic acid;quinoline is O=C(O)C1CNCCN1.c1ccc2ncccc2c1.
What is the InChIKey of piperazine-2-carboxylic acid;quinoline?
The InChIKey is QYMAKZXFSZWANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C5H10N2O2/c1-2-6-9-8(4-1)5-3-7-10-9;8-5(9)4-3-6-1-2-7-4/h1-7H;4,6-7H,1-3H2,(H,8,9).
What are the key properties of piperazine-2-carboxylic acid;quinoline?
piperazine-2-carboxylic acid;quinoline has a molecular weight of 259.31 g/mol, XLogP of 0.87, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-2-carboxylic acid;quinoline is sourced from PubChem (CID 160554290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).