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

C14H22N4 — CID 168909423

IUPAC6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile;ethane
SMILESCC.C[C@H]1CN(C)CCN1c1cccc(C#N)n1
InChIInChI=1S/C12H16N4.C2H6/c1-10-9-15(2)6-7-16(10)12-5-3-4-11(8-13)14-12;1-2/h3-5,10H,6-7,9H2,1-2H3;1-2H3/t10-;/m0./s1
InChIKeyVIOWJLPWVMBARK-PPHPATTJSA-N
MW246.36 g/mol
LogP2.12
Rot. Bonds1

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

6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile;ethane (PubChem CID 168909423) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile;ethane.

Molecular Properties

Compound Name6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile;ethane
PubChem CID168909423
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile;ethane
SMILESCC.C[C@H]1CN(C)CCN1c1cccc(C#N)n1
InChIInChI=1S/C12H16N4.C2H6/c1-10-9-15(2)6-7-16(10)12-5-3-4-11(8-13)14-12;1-2/h3-5,10H,6-7,9H2,1-2H3;1-2H3/t10-;/m0./s1
InChIKeyVIOWJLPWVMBARK-PPHPATTJSA-N
XLogP2.12
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.12
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;ethane?
The IUPAC name of 6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile;ethane (CID 168909423) is 6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile;ethane.
What is the SMILES notation for 6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile;ethane?
The canonical SMILES for 6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile;ethane is CC.C[C@H]1CN(C)CCN1c1cccc(C#N)n1.
What is the InChIKey of 6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile;ethane?
The InChIKey is VIOWJLPWVMBARK-PPHPATTJSA-N. The full InChI is InChI=1S/C12H16N4.C2H6/c1-10-9-15(2)6-7-16(10)12-5-3-4-11(8-13)14-12;1-2/h3-5,10H,6-7,9H2,1-2H3;1-2H3/t10-;/m0./s1.
What are the key properties of 6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile;ethane?
6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile;ethane has a molecular weight of 246.36 g/mol, XLogP of 2.12, 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;ethane is sourced from PubChem (CID 168909423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).