piperazin-1-yl pyridine-2-carboxylate;dihydrochloride

C10H15Cl2N3O2 — CID 177001655

IUPACpiperazin-1-yl pyridine-2-carboxylate;dihydrochloride
SMILESCl.Cl.O=C(ON1CCNCC1)c1ccccn1
InChIInChI=1S/C10H13N3O2.2ClH/c14-10(9-3-1-2-4-12-9)15-13-7-5-11-6-8-13;;/h1-4,11H,5-8H2;2*1H
InChIKeyWGOHVFKKOSLRAK-UHFFFAOYSA-N
MW280.15 g/mol
LogP0.90
Rot. Bonds2

About piperazin-1-yl pyridine-2-carboxylate;dihydrochloride

piperazin-1-yl pyridine-2-carboxylate;dihydrochloride (PubChem CID 177001655) has the molecular formula C10H15Cl2N3O2 and a molecular weight of 280.15 g/mol. Its IUPAC name is piperazin-1-yl pyridine-2-carboxylate;dihydrochloride.

Molecular Properties

Compound Namepiperazin-1-yl pyridine-2-carboxylate;dihydrochloride
PubChem CID177001655
Molecular FormulaC10H15Cl2N3O2
Molecular Weight280.15 g/mol
Exact Mass279.05
IUPAC Namepiperazin-1-yl pyridine-2-carboxylate;dihydrochloride
SMILESCl.Cl.O=C(ON1CCNCC1)c1ccccn1
InChIInChI=1S/C10H13N3O2.2ClH/c14-10(9-3-1-2-4-12-9)15-13-7-5-11-6-8-13;;/h1-4,11H,5-8H2;2*1H
InChIKeyWGOHVFKKOSLRAK-UHFFFAOYSA-N
XLogP0.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

pyrrolidin-1-yl pyridine-2-carboxylate
CID 118695121
azetidin-3-yl pyridine-2-carboxylate
CID 130016226
piperazin-1-yl 3-methylbenzoate
CID 175416876
gadolinium;pyridine-2-carboxylic acid
CID 175231422
2-piperidin-4-yloxy-1-pyridin-2-ylethanone
CID 71645202
1-aminoethyl pyridine-2-carboxylate
CID 141264689
hafnium;pyridine-2-carboxylic acid
CID 175130925
CID 173156131
CID 173156131
pyridine-2-carboxylic acid;tungsten
CID 88770661
CID 175246691
CID 175246691
europium;pyridine-2-carboxylic acid
CID 174808227
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] pyridine-2-carboxylate
CID 9412619

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl pyridine-2-carboxylate;dihydrochloride?
The IUPAC name of piperazin-1-yl pyridine-2-carboxylate;dihydrochloride (CID 177001655) is piperazin-1-yl pyridine-2-carboxylate;dihydrochloride.
What is the SMILES notation for piperazin-1-yl pyridine-2-carboxylate;dihydrochloride?
The canonical SMILES for piperazin-1-yl pyridine-2-carboxylate;dihydrochloride is Cl.Cl.O=C(ON1CCNCC1)c1ccccn1.
What is the InChIKey of piperazin-1-yl pyridine-2-carboxylate;dihydrochloride?
The InChIKey is WGOHVFKKOSLRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2.2ClH/c14-10(9-3-1-2-4-12-9)15-13-7-5-11-6-8-13;;/h1-4,11H,5-8H2;2*1H.
What are the key properties of piperazin-1-yl pyridine-2-carboxylate;dihydrochloride?
piperazin-1-yl pyridine-2-carboxylate;dihydrochloride has a molecular weight of 280.15 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl pyridine-2-carboxylate;dihydrochloride is sourced from PubChem (CID 177001655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).