2-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pentanedinitrile

C16H24N6 — CID 56802794

IUPAC2-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pentanedinitrile
SMILESCC1CN(CC(C#N)CCC#N)CCN1Cc1nccn1C
InChIInChI=1S/C16H24N6/c1-14-11-21(12-15(10-18)4-3-5-17)8-9-22(14)13-16-19-6-7-20(16)2/h6-7,14-15H,3-4,8-9,11-13H2,1-2H3
InChIKeyJDRBUEPHCPTOSP-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.37
Rot. Bonds6

About 2-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pentanedinitrile

2-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pentanedinitrile (PubChem CID 56802794) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pentanedinitrile.

Molecular Properties

Compound Name2-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pentanedinitrile
PubChem CID56802794
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name2-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pentanedinitrile
SMILESCC1CN(CC(C#N)CCC#N)CCN1Cc1nccn1C
InChIInChI=1S/C16H24N6/c1-14-11-21(12-15(10-18)4-3-5-17)8-9-22(14)13-16-19-6-7-20(16)2/h6-7,14-15H,3-4,8-9,11-13H2,1-2H3
InChIKeyJDRBUEPHCPTOSP-UHFFFAOYSA-N
XLogP1.37
TPSA71.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 95301302
1-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]cyclohexan-1-ol
CID 95284674
(2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
CID 95297188
2-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 95291066
(2R)-4-[2-(4-methoxyphenyl)ethyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
CID 95305075
(1R)-2-[(2S)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95350449
4-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzamide
CID 95287075
(2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
CID 95292862
(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine
CID 100838868
2-[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 95294975
(2R)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-[(1R)-1-pyridin-3-ylethyl]piperazine
CID 98757746
4-[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 95286991

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pentanedinitrile?
The IUPAC name of 2-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pentanedinitrile (CID 56802794) is 2-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pentanedinitrile.
What is the SMILES notation for 2-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pentanedinitrile?
The canonical SMILES for 2-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pentanedinitrile is CC1CN(CC(C#N)CCC#N)CCN1Cc1nccn1C.
What is the InChIKey of 2-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pentanedinitrile?
The InChIKey is JDRBUEPHCPTOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-14-11-21(12-15(10-18)4-3-5-17)8-9-22(14)13-16-19-6-7-20(16)2/h6-7,14-15H,3-4,8-9,11-13H2,1-2H3.
What are the key properties of 2-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pentanedinitrile?
2-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pentanedinitrile has a molecular weight of 300.41 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pentanedinitrile is sourced from PubChem (CID 56802794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).