4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile

C12H16N4 — CID 63886534

IUPAC4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
SMILESCN1CCN(Cc2ccnc(C#N)c2)CC1
InChIInChI=1S/C12H16N4/c1-15-4-6-16(7-5-15)10-11-2-3-14-12(8-11)9-13/h2-3,8H,4-7,10H2,1H3
InChIKeyQXKAKPHYFABUJS-UHFFFAOYSA-N
MW216.29 g/mol
LogP0.70
Rot. Bonds2

About 4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile

4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 63886534) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID63886534
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
SMILESCN1CCN(Cc2ccnc(C#N)c2)CC1
InChIInChI=1S/C12H16N4/c1-15-4-6-16(7-5-15)10-11-2-3-14-12(8-11)9-13/h2-3,8H,4-7,10H2,1H3
InChIKeyQXKAKPHYFABUJS-UHFFFAOYSA-N
XLogP0.70
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile
CID 63885775
4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carbonitrile
CID 63885388
4-[(4-acetyl-1,4-diazepan-1-yl)methyl]pyridine-2-carbonitrile
CID 63885773
4-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 58394785
4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyridine-2-carbonitrile
CID 115305378
4-(3-azaspiro[5.5]undecan-3-ylmethyl)pyridine-2-carbonitrile
CID 63886161
4-[(3,5-dimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63885183
[4-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888635
4-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 65448856
4-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
CID 103533479
4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
CID 112703461
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carbonitrile
CID 79932272

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile (CID 63886534) is 4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile is CN1CCN(Cc2ccnc(C#N)c2)CC1.
What is the InChIKey of 4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is QXKAKPHYFABUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-15-4-6-16(7-5-15)10-11-2-3-14-12(8-11)9-13/h2-3,8H,4-7,10H2,1H3.
What are the key properties of 4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile?
4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63886534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).