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

C15H23N5 — CID 56861899

IUPAC1-methyl-4-[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]piperidine
SMILESCc1nccn1CCn1ccnc1C1CCN(C)CC1
InChIInChI=1S/C15H23N5/c1-13-16-5-9-19(13)11-12-20-10-6-17-15(20)14-3-7-18(2)8-4-14/h5-6,9-10,14H,3-4,7-8,11-12H2,1-2H3
InChIKeyKAQZFUGGXAAYPF-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.90
Rot. Bonds4

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

1-methyl-4-[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]piperidine (PubChem CID 56861899) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-methyl-4-[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]piperidine
PubChem CID56861899
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name1-methyl-4-[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]piperidine
SMILESCc1nccn1CCn1ccnc1C1CCN(C)CC1
InChIInChI=1S/C15H23N5/c1-13-16-5-9-19(13)11-12-20-10-6-17-15(20)14-3-7-18(2)8-4-14/h5-6,9-10,14H,3-4,7-8,11-12H2,1-2H3
InChIKeyKAQZFUGGXAAYPF-UHFFFAOYSA-N
XLogP1.90
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[2-(1-methylpiperidin-4-yl)imidazol-1-yl]ethanamine
CID 135170249
4-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-1-methylpiperidine
CID 56982556
2-cyclopentyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazole
CID 155911076
3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-ol
CID 114502459
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 61225679
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carbaldehyde
CID 62656814
3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine
CID 72877825
N-[3-(2-cyclopropylimidazol-1-yl)propyl]-5-methylpyridin-2-amine
CID 70771492
1-[2-[2-(bromomethyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 80669869
4-(1-chloroethyl)-1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 106838160
3-(2-methylimidazol-1-yl)propylhydrazine
CID 123546273
N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine
CID 115654607

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]piperidine?
The IUPAC name of 1-methyl-4-[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]piperidine (CID 56861899) is 1-methyl-4-[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]piperidine.
What is the SMILES notation for 1-methyl-4-[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]piperidine?
The canonical SMILES for 1-methyl-4-[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]piperidine is Cc1nccn1CCn1ccnc1C1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]piperidine?
The InChIKey is KAQZFUGGXAAYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-13-16-5-9-19(13)11-12-20-10-6-17-15(20)14-3-7-18(2)8-4-14/h5-6,9-10,14H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 1-methyl-4-[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]piperidine?
1-methyl-4-[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]piperidine has a molecular weight of 273.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]piperidine is sourced from PubChem (CID 56861899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).