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

C15H20N4 — CID 63124270

IUPAC4-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidine
SMILESCc1nnc(C2(C)CCNCC2)n1-c1ccccc1
InChIInChI=1S/C15H20N4/c1-12-17-18-14(15(2)8-10-16-11-9-15)19(12)13-6-4-3-5-7-13/h3-7,16H,8-11H2,1-2H3
InChIKeyPGHXYMMFFPPYBL-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.22
Rot. Bonds2

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

4-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 63124270) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name4-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidine
PubChem CID63124270
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidine
SMILESCc1nnc(C2(C)CCNCC2)n1-c1ccccc1
InChIInChI=1S/C15H20N4/c1-12-17-18-14(15(2)8-10-16-11-9-15)19(12)13-6-4-3-5-7-13/h3-7,16H,8-11H2,1-2H3
InChIKeyPGHXYMMFFPPYBL-UHFFFAOYSA-N
XLogP2.22
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 4-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidine (CID 63124270) is 4-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 4-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 4-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidine is Cc1nnc(C2(C)CCNCC2)n1-c1ccccc1.
What is the InChIKey of 4-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is PGHXYMMFFPPYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12-17-18-14(15(2)8-10-16-11-9-15)19(12)13-6-4-3-5-7-13/h3-7,16H,8-11H2,1-2H3.
What are the key properties of 4-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidine?
4-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 256.35 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 63124270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).