4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carbonitrile

C13H20N4 — CID 107160803

IUPAC4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carbonitrile
SMILESCn1ccnc1CCN1CCC(C)(C#N)CC1
InChIInChI=1S/C13H20N4/c1-13(11-14)4-8-17(9-5-13)7-3-12-15-6-10-16(12)2/h6,10H,3-5,7-9H2,1-2H3
InChIKeySLXWJOOCRAMAFP-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.59
Rot. Bonds3

About 4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carbonitrile

4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carbonitrile (PubChem CID 107160803) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carbonitrile
PubChem CID107160803
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carbonitrile
SMILESCn1ccnc1CCN1CCC(C)(C#N)CC1
InChIInChI=1S/C13H20N4/c1-13(11-14)4-8-17(9-5-13)7-3-12-15-6-10-16(12)2/h6,10H,3-5,7-9H2,1-2H3
InChIKeySLXWJOOCRAMAFP-UHFFFAOYSA-N
XLogP1.59
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-(2-Methyl-1H-imidazol-1-yl)ethyl)piperidine
CID 6484685
4-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 63554068
3-Methyl-2-[4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]butanenitrile
CID 56787426
N,N-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanamine
CID 56788085
3-(1-methyl-1H-imidazol-2-yl)-1-[3-(2-methyl-1H-imidazol-1-yl)propyl]piperidine
CID 70743009
4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-[3-(2-methyl-1H-imidazol-1-yl)propyl]piperidine
CID 70771458
4-[2-(2-Methylimidazol-1-yl)ethyl]-1-propan-2-ylpiperidine
CID 95827895
N,N-dimethyl-2-[8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]ethanamine
CID 97396895
4-((2-Methyl-1H-imidazol-1-yl)methyl)piperidine
CID 25794905
2-Butyl-3-dimethylaminomethylimidazole
CID 10856106
1,2-Dibutylimidazole
CID 19383717
1-Ethyl-2-butylimidazole
CID 67282762

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carbonitrile?
The IUPAC name of 4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carbonitrile (CID 107160803) is 4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carbonitrile.
What is the SMILES notation for 4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carbonitrile?
The canonical SMILES for 4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carbonitrile is Cn1ccnc1CCN1CCC(C)(C#N)CC1.
What is the InChIKey of 4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carbonitrile?
The InChIKey is SLXWJOOCRAMAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-13(11-14)4-8-17(9-5-13)7-3-12-15-6-10-16(12)2/h6,10H,3-5,7-9H2,1-2H3.
What are the key properties of 4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carbonitrile?
4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carbonitrile is sourced from PubChem (CID 107160803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).