5-(2-methylpropyl)-3-piperazin-1-ylpyridine-2-carbonitrile;hydrochloride

C14H21ClN4 — CID 171779933

IUPAC5-(2-methylpropyl)-3-piperazin-1-ylpyridine-2-carbonitrile;hydrochloride
SMILESCC(C)Cc1cnc(C#N)c(N2CCNCC2)c1.Cl
InChIInChI=1S/C14H20N4.ClH/c1-11(2)7-12-8-14(13(9-15)17-10-12)18-5-3-16-4-6-18;/h8,10-11,16H,3-7H2,1-2H3;1H
InChIKeyDJQQLVHNAQOOJK-UHFFFAOYSA-N
MW280.80 g/mol
LogP1.98
Rot. Bonds3

About 5-(2-methylpropyl)-3-piperazin-1-ylpyridine-2-carbonitrile;hydrochloride

5-(2-methylpropyl)-3-piperazin-1-ylpyridine-2-carbonitrile;hydrochloride (PubChem CID 171779933) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-piperazin-1-ylpyridine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-piperazin-1-ylpyridine-2-carbonitrile;hydrochloride
PubChem CID171779933
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC Name5-(2-methylpropyl)-3-piperazin-1-ylpyridine-2-carbonitrile;hydrochloride
SMILESCC(C)Cc1cnc(C#N)c(N2CCNCC2)c1.Cl
InChIInChI=1S/C14H20N4.ClH/c1-11(2)7-12-8-14(13(9-15)17-10-12)18-5-3-16-4-6-18;/h8,10-11,16H,3-7H2,1-2H3;1H
InChIKeyDJQQLVHNAQOOJK-UHFFFAOYSA-N
XLogP1.98
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3-piperazin-1-ylpyridine-2-carbonitrile;hydrochloride?
The IUPAC name of 5-(2-methylpropyl)-3-piperazin-1-ylpyridine-2-carbonitrile;hydrochloride (CID 171779933) is 5-(2-methylpropyl)-3-piperazin-1-ylpyridine-2-carbonitrile;hydrochloride.
What is the SMILES notation for 5-(2-methylpropyl)-3-piperazin-1-ylpyridine-2-carbonitrile;hydrochloride?
The canonical SMILES for 5-(2-methylpropyl)-3-piperazin-1-ylpyridine-2-carbonitrile;hydrochloride is CC(C)Cc1cnc(C#N)c(N2CCNCC2)c1.Cl.
What is the InChIKey of 5-(2-methylpropyl)-3-piperazin-1-ylpyridine-2-carbonitrile;hydrochloride?
The InChIKey is DJQQLVHNAQOOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4.ClH/c1-11(2)7-12-8-14(13(9-15)17-10-12)18-5-3-16-4-6-18;/h8,10-11,16H,3-7H2,1-2H3;1H.
What are the key properties of 5-(2-methylpropyl)-3-piperazin-1-ylpyridine-2-carbonitrile;hydrochloride?
5-(2-methylpropyl)-3-piperazin-1-ylpyridine-2-carbonitrile;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-piperazin-1-ylpyridine-2-carbonitrile;hydrochloride is sourced from PubChem (CID 171779933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).