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

C12H16N4 — CID 65448111

IUPAC3-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
SMILESCC1CN(Cc2cccnc2C#N)CCN1
InChIInChI=1S/C12H16N4/c1-10-8-16(6-5-14-10)9-11-3-2-4-15-12(11)7-13/h2-4,10,14H,5-6,8-9H2,1H3
InChIKeyHHWCPAOMWASEHM-UHFFFAOYSA-N
MW216.29 g/mol
LogP0.75
Rot. Bonds2

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

3-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 65448111) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID65448111
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
SMILESCC1CN(Cc2cccnc2C#N)CCN1
InChIInChI=1S/C12H16N4/c1-10-8-16(6-5-14-10)9-11-3-2-4-15-12(11)7-13/h2-4,10,14H,5-6,8-9H2,1H3
InChIKeyHHWCPAOMWASEHM-UHFFFAOYSA-N
XLogP0.75
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridine-2-carbonitrile
CID 55153333
3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63169618
3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridine-2-carbonitrile
CID 82755125
3-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]benzonitrile
CID 102669366
3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile
CID 62894272
4-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 65448856
3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 71639374
3-[(2,2-dimethylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 65462403
(3S)-1-[(2-bromophenyl)methyl]-3-methylpiperazine
CID 95243882
1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 62893250
3-[(3-propoxypiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 62919235
3-[(4-cyclopentylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 62920093

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile (CID 65448111) is 3-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile is CC1CN(Cc2cccnc2C#N)CCN1.
What is the InChIKey of 3-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is HHWCPAOMWASEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-10-8-16(6-5-14-10)9-11-3-2-4-15-12(11)7-13/h2-4,10,14H,5-6,8-9H2,1H3.
What are the key properties of 3-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile?
3-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 65448111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).