2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]propanenitrile

C13H21N5 — CID 63338729

IUPAC2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]propanenitrile
SMILESCc1nccn1CCN1CCN(C(C)C#N)CC1
InChIInChI=1S/C13H21N5/c1-12(11-14)17-8-5-16(6-9-17)7-10-18-4-3-15-13(18)2/h3-4,12H,5-10H2,1-2H3
InChIKeyIAZVVDNOVWLCBS-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.72
Rot. Bonds4

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

2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]propanenitrile (PubChem CID 63338729) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]propanenitrile
PubChem CID63338729
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]propanenitrile
SMILESCc1nccn1CCN1CCN(C(C)C#N)CC1
InChIInChI=1S/C13H21N5/c1-12(11-14)17-8-5-16(6-9-17)7-10-18-4-3-15-13(18)2/h3-4,12H,5-10H2,1-2H3
InChIKeyIAZVVDNOVWLCBS-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 61225679
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533655
4-(1-chloroethyl)-1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 106838160
N-[[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-yl]methyl]propan-2-amine
CID 62592921
4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]aniline
CID 61493689
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carbaldehyde
CID 62656814
2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanenitrile
CID 82867144
2-methyl-N-[[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-yl]methyl]propan-2-amine
CID 62592405
N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533948
4-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]azepan-4-ol
CID 107408049
2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide
CID 90533937
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one
CID 90533659

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]propanenitrile?
The IUPAC name of 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]propanenitrile (CID 63338729) is 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]propanenitrile is Cc1nccn1CCN1CCN(C(C)C#N)CC1.
What is the InChIKey of 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]propanenitrile?
The InChIKey is IAZVVDNOVWLCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-12(11-14)17-8-5-16(6-9-17)7-10-18-4-3-15-13(18)2/h3-4,12H,5-10H2,1-2H3.
What are the key properties of 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]propanenitrile?
2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]propanenitrile has a molecular weight of 247.35 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]propanenitrile is sourced from PubChem (CID 63338729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).