3,5-dimethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine

C15H20N4 — CID 174707588

IUPAC3,5-dimethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
SMILESCC1CNC(c2nc(-c3ccccc3)n[nH]2)C(C)C1
InChIInChI=1S/C15H20N4/c1-10-8-11(2)13(16-9-10)15-17-14(18-19-15)12-6-4-3-5-7-12/h3-7,10-11,13,16H,8-9H2,1-2H3,(H,17,18,19)
InChIKeyCHBVUVNHEBKYLV-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.78
Rot. Bonds2

About 3,5-dimethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine

3,5-dimethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 174707588) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3,5-dimethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name3,5-dimethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
PubChem CID174707588
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3,5-dimethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
SMILESCC1CNC(c2nc(-c3ccccc3)n[nH]2)C(C)C1
InChIInChI=1S/C15H20N4/c1-10-8-11(2)13(16-9-10)15-17-14(18-19-15)12-6-4-3-5-7-12/h3-7,10-11,13,16H,8-9H2,1-2H3,(H,17,18,19)
InChIKeyCHBVUVNHEBKYLV-UHFFFAOYSA-N
XLogP2.78
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-3-phenyl-1H-1,2,4-triazole
CID 61338880
5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrazolidin-3-amine
CID 77043310
4-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine
CID 61352388
1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
CID 141321764
5-(3,4-dihydro-2H-chromen-4-yl)-3-phenyl-1H-1,2,4-triazole
CID 63708320
2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanoic acid
CID 119958609
2-[5-(azetidin-3-yl)-1H-1,2,4-triazol-3-yl]pyridine
CID 68752284
3-phenyl-5-(trichloromethyl)-1H-1,2,4-triazole
CID 59302212
3-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine
CID 61352389
(2R,4R)-4-methyl-2-phenylpyrrolidine
CID 101063094
3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole
CID 150089010
3,5-dimethyl-4-[[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 53192308

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 3,5-dimethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine (CID 174707588) is 3,5-dimethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 3,5-dimethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 3,5-dimethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine is CC1CNC(c2nc(-c3ccccc3)n[nH]2)C(C)C1.
What is the InChIKey of 3,5-dimethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is CHBVUVNHEBKYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-10-8-11(2)13(16-9-10)15-17-14(18-19-15)12-6-4-3-5-7-12/h3-7,10-11,13,16H,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of 3,5-dimethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine?
3,5-dimethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 256.35 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 174707588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).