4-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile

C12H16N4 — CID 65448856

IUPAC4-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
SMILESCC1CN(Cc2ccnc(C#N)c2)CCN1
InChIInChI=1S/C12H16N4/c1-10-8-16(5-4-14-10)9-11-2-3-15-12(6-11)7-13/h2-3,6,10,14H,4-5,8-9H2,1H3
InChIKeyWIBGCRJQHZPOEE-UHFFFAOYSA-N
MW216.29 g/mol
LogP0.75
Rot. Bonds2

About 4-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile

4-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 65448856) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID65448856
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name4-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
SMILESCC1CN(Cc2ccnc(C#N)c2)CCN1
InChIInChI=1S/C12H16N4/c1-10-8-16(5-4-14-10)9-11-2-3-15-12(6-11)7-13/h2-3,6,10,14H,4-5,8-9H2,1H3
InChIKeyWIBGCRJQHZPOEE-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

4-[(3,5-dimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63885183
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-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 63886534
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridine-2-carbonitrile
CID 63885765
4-[(3-aminopiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63882954
4-[(2-cyano-4-pyridinyl)methyl]morpholine-2-carbonitrile
CID 79674868
4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile
CID 63885775
3-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 65448111
4-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 58394785
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carbonitrile
CID 79932272
6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline
CID 103885682

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile (CID 65448856) is 4-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile is CC1CN(Cc2ccnc(C#N)c2)CCN1.
What is the InChIKey of 4-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is WIBGCRJQHZPOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-10-8-16(5-4-14-10)9-11-2-3-15-12(6-11)7-13/h2-3,6,10,14H,4-5,8-9H2,1H3.
What are the key properties of 4-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile?
4-[(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 4-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 65448856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).