4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride

C10H14Cl2N4 — CID 154825612

IUPAC4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1cc(N2CCNCC2)ccn1
InChIInChI=1S/C10H12N4.2ClH/c11-8-9-7-10(1-2-13-9)14-5-3-12-4-6-14;;/h1-2,7,12H,3-6H2;2*1H
InChIKeyBBHNHFVLCUJBKW-UHFFFAOYSA-N
MW261.16 g/mol
LogP1.21
Rot. Bonds1

About 4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride

4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride (PubChem CID 154825612) has the molecular formula C10H14Cl2N4 and a molecular weight of 261.16 g/mol. Its IUPAC name is 4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride.

Molecular Properties

Compound Name4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride
PubChem CID154825612
Molecular FormulaC10H14Cl2N4
Molecular Weight261.16 g/mol
Exact Mass260.06
IUPAC Name4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1cc(N2CCNCC2)ccn1
InChIInChI=1S/C10H12N4.2ClH/c11-8-9-7-10(1-2-13-9)14-5-3-12-4-6-14;;/h1-2,7,12H,3-6H2;2*1H
InChIKeyBBHNHFVLCUJBKW-UHFFFAOYSA-N
XLogP1.21
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride?
The IUPAC name of 4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride (CID 154825612) is 4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride.
What is the SMILES notation for 4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride?
The canonical SMILES for 4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride is Cl.Cl.N#Cc1cc(N2CCNCC2)ccn1.
What is the InChIKey of 4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride?
The InChIKey is BBHNHFVLCUJBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4.2ClH/c11-8-9-7-10(1-2-13-9)14-5-3-12-4-6-14;;/h1-2,7,12H,3-6H2;2*1H.
What are the key properties of 4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride?
4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride has a molecular weight of 261.16 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride is sourced from PubChem (CID 154825612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).