1-benzyl-4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine

C20H26N6 — CID 72868368

IUPAC1-benzyl-4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCCn1c(Cn2ccnc2)nnc1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H26N6/c1-2-26-19(15-25-13-10-21-16-25)22-23-20(26)18-8-11-24(12-9-18)14-17-6-4-3-5-7-17/h3-7,10,13,16,18H,2,8-9,11-12,14-15H2,1H3
InChIKeyCKRTVELDMLDEKE-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.92
Rot. Bonds6

About 1-benzyl-4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine

1-benzyl-4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine (PubChem CID 72868368) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-benzyl-4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name1-benzyl-4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
PubChem CID72868368
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC Name1-benzyl-4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCCn1c(Cn2ccnc2)nnc1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H26N6/c1-2-26-19(15-25-13-10-21-16-25)22-23-20(26)18-8-11-24(12-9-18)14-17-6-4-3-5-7-17/h3-7,10,13,16,18H,2,8-9,11-12,14-15H2,1H3
InChIKeyCKRTVELDMLDEKE-UHFFFAOYSA-N
XLogP2.92
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]benzonitrile
CID 72869139
1-(2,2-dimethylpropyl)-4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 72861259
3-[[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 72873695
(1R,5S)-6-[[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane;dihydrochloride
CID 154898816
4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(furan-2-ylmethyl)piperidine
CID 72853190
4-[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-5,6-dimethylpyrimidine
CID 72848536
4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(3-methylphenyl)methyl]piperidine
CID 72862443
[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 72925752
4-[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 72879860
[4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 72915165
4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(2-fluorophenyl)methyl]piperidine
CID 72885815
1-benzyl-4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 72880455

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 1-benzyl-4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine (CID 72868368) is 1-benzyl-4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 1-benzyl-4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 1-benzyl-4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine is CCn1c(Cn2ccnc2)nnc1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The InChIKey is CKRTVELDMLDEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-2-26-19(15-25-13-10-21-16-25)22-23-20(26)18-8-11-24(12-9-18)14-17-6-4-3-5-7-17/h3-7,10,13,16,18H,2,8-9,11-12,14-15H2,1H3.
What are the key properties of 1-benzyl-4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
1-benzyl-4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine has a molecular weight of 350.47 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[4-ethyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 72868368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).