2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentanenitrile

C13H21N5 — CID 63343860

IUPAC2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(c2nccn2C)CC1
InChIInChI=1S/C13H21N5/c1-3-4-12(11-14)17-7-9-18(10-8-17)13-15-5-6-16(13)2/h5-6,12H,3-4,7-10H2,1-2H3
InChIKeyNUDJPLRDFUPPDN-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.23
Rot. Bonds4

About 2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentanenitrile

2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentanenitrile (PubChem CID 63343860) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentanenitrile
PubChem CID63343860
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(c2nccn2C)CC1
InChIInChI=1S/C13H21N5/c1-3-4-12(11-14)17-7-9-18(10-8-17)13-15-5-6-16(13)2/h5-6,12H,3-4,7-10H2,1-2H3
InChIKeyNUDJPLRDFUPPDN-UHFFFAOYSA-N
XLogP1.23
TPSA48.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentanenitrile?
The IUPAC name of 2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentanenitrile (CID 63343860) is 2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentanenitrile.
What is the SMILES notation for 2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentanenitrile?
The canonical SMILES for 2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentanenitrile is CCCC(C#N)N1CCN(c2nccn2C)CC1.
What is the InChIKey of 2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentanenitrile?
The InChIKey is NUDJPLRDFUPPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-3-4-12(11-14)17-7-9-18(10-8-17)13-15-5-6-16(13)2/h5-6,12H,3-4,7-10H2,1-2H3.
What are the key properties of 2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentanenitrile?
2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentanenitrile has a molecular weight of 247.35 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentanenitrile is sourced from PubChem (CID 63343860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).