6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile

C12H16N4 — CID 150768660

IUPAC6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile
SMILESC[C@H]1CN(C)CCN1c1cccc(C#N)n1
InChIInChI=1S/C12H16N4/c1-10-9-15(2)6-7-16(10)12-5-3-4-11(8-13)14-12/h3-5,10H,6-7,9H2,1-2H3/t10-/m0/s1
InChIKeyJZJRQBAJFIVXDO-JTQLQIEISA-N
MW216.29 g/mol
LogP1.09
Rot. Bonds1

About 6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile

6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 150768660) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile
PubChem CID150768660
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile
SMILESC[C@H]1CN(C)CCN1c1cccc(C#N)n1
InChIInChI=1S/C12H16N4/c1-10-9-15(2)6-7-16(10)12-5-3-4-11(8-13)14-12/h3-5,10H,6-7,9H2,1-2H3/t10-/m0/s1
InChIKeyJZJRQBAJFIVXDO-JTQLQIEISA-N
XLogP1.09
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile (CID 150768660) is 6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile is C[C@H]1CN(C)CCN1c1cccc(C#N)n1.
What is the InChIKey of 6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is JZJRQBAJFIVXDO-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N4/c1-10-9-15(2)6-7-16(10)12-5-3-4-11(8-13)14-12/h3-5,10H,6-7,9H2,1-2H3/t10-/m0/s1.
What are the key properties of 6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile?
6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 150768660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).