2-[(2R)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile

C11H14N4 — CID 94546211

IUPAC2-[(2R)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
SMILESC[C@@H]1CNCCN1c1ncccc1C#N
InChIInChI=1S/C11H14N4/c1-9-8-13-5-6-15(9)11-10(7-12)3-2-4-14-11/h2-4,9,13H,5-6,8H2,1H3/t9-/m1/s1
InChIKeyXSMPLBONDBFNBW-SECBINFHSA-N
MW202.26 g/mol
LogP0.75
Rot. Bonds1

About 2-[(2R)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile

2-[(2R)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 94546211) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[(2R)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2R)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
PubChem CID94546211
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-[(2R)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
SMILESC[C@@H]1CNCCN1c1ncccc1C#N
InChIInChI=1S/C11H14N4/c1-9-8-13-5-6-15(9)11-10(7-12)3-2-4-14-11/h2-4,9,13H,5-6,8H2,1H3/t9-/m1/s1
InChIKeyXSMPLBONDBFNBW-SECBINFHSA-N
XLogP0.75
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxy-2-pyridinyl)-2-methylpiperazine;hydrochloride
CID 162079828
2-(2,4-dimethylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 115644105
2-(2-methylpiperazin-1-yl)sulfonylpyridine-3-carbonitrile;hydrochloride
CID 71639577
2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 58826334
2-(3-piperazin-1-ylazetidin-1-yl)pyridine-3-carbonitrile
CID 66195251
3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridine-2-carbonitrile
CID 82755125
(2R)-2-methyl-1-pyridin-2-ylpiperazine;hydrochloride
CID 134500587
4-[(2S)-2-methylpiperazin-1-yl]benzonitrile
CID 94546154
5-methyl-2-[(2S)-2-methylpiperazin-1-yl]benzonitrile
CID 155201479
1-(3-cyano-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79370136
2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridine-3-carbonitrile
CID 94015449
5-methoxy-1-(2-methylpiperazin-1-yl)isoquinoline
CID 106542347

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[(2R)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile (CID 94546211) is 2-[(2R)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2R)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2R)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile is C[C@@H]1CNCCN1c1ncccc1C#N.
What is the InChIKey of 2-[(2R)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is XSMPLBONDBFNBW-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N4/c1-9-8-13-5-6-15(9)11-10(7-12)3-2-4-14-11/h2-4,9,13H,5-6,8H2,1H3/t9-/m1/s1.
What are the key properties of 2-[(2R)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile?
2-[(2R)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 94546211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).