4-(2-methyl-1,2,4-triazol-3-yl)-4-phenylpiperidine

C14H18N4 — CID 55108724

IUPAC4-(2-methyl-1,2,4-triazol-3-yl)-4-phenylpiperidine
SMILESCn1ncnc1C1(c2ccccc2)CCNCC1
InChIInChI=1S/C14H18N4/c1-18-13(16-11-17-18)14(7-9-15-10-8-14)12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3
InChIKeyYVALHNKLMHTKIZ-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.48
Rot. Bonds2

About 4-(2-methyl-1,2,4-triazol-3-yl)-4-phenylpiperidine

4-(2-methyl-1,2,4-triazol-3-yl)-4-phenylpiperidine (PubChem CID 55108724) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-(2-methyl-1,2,4-triazol-3-yl)-4-phenylpiperidine.

Molecular Properties

Compound Name4-(2-methyl-1,2,4-triazol-3-yl)-4-phenylpiperidine
PubChem CID55108724
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-(2-methyl-1,2,4-triazol-3-yl)-4-phenylpiperidine
SMILESCn1ncnc1C1(c2ccccc2)CCNCC1
InChIInChI=1S/C14H18N4/c1-18-13(16-11-17-18)14(7-9-15-10-8-14)12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3
InChIKeyYVALHNKLMHTKIZ-UHFFFAOYSA-N
XLogP1.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methyl-4H-1,2,4-triazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 45270771
1-Methyl-3-phenethyl-1,2,4-triazole
CID 374341
US11433053, Example 14
CID 148336466
3-benzyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 46941623
N-[2-(2-methylphenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 45830150
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 53499546
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 53500091
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 53500163
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylpiperidine-1-carboxamide
CID 53505079
3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-phenylethyl)piperidine
CID 53609707
3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-1-(3-phenylpropyl)piperidine
CID 53620361
1-[2-(4-Ethylphenyl)ethyl]-1,2,4-triazole-3-carbonitrile
CID 56791137

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,2,4-triazol-3-yl)-4-phenylpiperidine?
The IUPAC name of 4-(2-methyl-1,2,4-triazol-3-yl)-4-phenylpiperidine (CID 55108724) is 4-(2-methyl-1,2,4-triazol-3-yl)-4-phenylpiperidine.
What is the SMILES notation for 4-(2-methyl-1,2,4-triazol-3-yl)-4-phenylpiperidine?
The canonical SMILES for 4-(2-methyl-1,2,4-triazol-3-yl)-4-phenylpiperidine is Cn1ncnc1C1(c2ccccc2)CCNCC1.
What is the InChIKey of 4-(2-methyl-1,2,4-triazol-3-yl)-4-phenylpiperidine?
The InChIKey is YVALHNKLMHTKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-18-13(16-11-17-18)14(7-9-15-10-8-14)12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3.
What are the key properties of 4-(2-methyl-1,2,4-triazol-3-yl)-4-phenylpiperidine?
4-(2-methyl-1,2,4-triazol-3-yl)-4-phenylpiperidine has a molecular weight of 242.33 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,2,4-triazol-3-yl)-4-phenylpiperidine is sourced from PubChem (CID 55108724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).