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

C14H18N4 — CID 82477861

IUPAC4-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)piperidine
SMILESCc1nc(C2CCNCC2)n(-c2ccccc2)n1
InChIInChI=1S/C14H18N4/c1-11-16-14(12-7-9-15-10-8-12)18(17-11)13-5-3-2-4-6-13/h2-6,12,15H,7-10H2,1H3
InChIKeyFBLNLPGHUQFYRV-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.04
Rot. Bonds2

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

4-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 82477861) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name4-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)piperidine
PubChem CID82477861
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)piperidine
SMILESCc1nc(C2CCNCC2)n(-c2ccccc2)n1
InChIInChI=1S/C14H18N4/c1-11-16-14(12-7-9-15-10-8-12)18(17-11)13-5-3-2-4-6-13/h2-6,12,15H,7-10H2,1H3
InChIKeyFBLNLPGHUQFYRV-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 4-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)piperidine (CID 82477861) is 4-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 4-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 4-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)piperidine is Cc1nc(C2CCNCC2)n(-c2ccccc2)n1.
What is the InChIKey of 4-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is FBLNLPGHUQFYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11-16-14(12-7-9-15-10-8-12)18(17-11)13-5-3-2-4-6-13/h2-6,12,15H,7-10H2,1H3.
What are the key properties of 4-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)piperidine?
4-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 242.33 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 82477861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).