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

C14H18N4 — CID 79606101

IUPAC4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESc1ccc(-n2cnnc2CC2CCNCC2)cc1
InChIInChI=1S/C14H18N4/c1-2-4-13(5-3-1)18-11-16-17-14(18)10-12-6-8-15-9-7-12/h1-5,11-12,15H,6-10H2
InChIKeyQPJDECGFNGSCJP-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.81
Rot. Bonds3

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

4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine (PubChem CID 79606101) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine
PubChem CID79606101
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESc1ccc(-n2cnnc2CC2CCNCC2)cc1
InChIInChI=1S/C14H18N4/c1-2-4-13(5-3-1)18-11-16-17-14(18)10-12-6-8-15-9-7-12/h1-5,11-12,15H,6-10H2
InChIKeyQPJDECGFNGSCJP-UHFFFAOYSA-N
XLogP1.81
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine?
The IUPAC name of 4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine (CID 79606101) is 4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine.
What is the SMILES notation for 4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine?
The canonical SMILES for 4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine is c1ccc(-n2cnnc2CC2CCNCC2)cc1.
What is the InChIKey of 4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine?
The InChIKey is QPJDECGFNGSCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-4-13(5-3-1)18-11-16-17-14(18)10-12-6-8-15-9-7-12/h1-5,11-12,15H,6-10H2.
What are the key properties of 4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine?
4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine has a molecular weight of 242.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine is sourced from PubChem (CID 79606101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).