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

C15H20N4 — CID 86820602

IUPAC3-[(4-benzyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESc1ccc(Cn2cnnc2CC2CCCNC2)cc1
InChIInChI=1S/C15H20N4/c1-2-5-13(6-3-1)11-19-12-17-18-15(19)9-14-7-4-8-16-10-14/h1-3,5-6,12,14,16H,4,7-11H2
InChIKeyLGQUCCUJQMGJTD-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.87
Rot. Bonds4

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

3-[(4-benzyl-1,2,4-triazol-3-yl)methyl]piperidine (PubChem CID 86820602) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(4-benzyl-1,2,4-triazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(4-benzyl-1,2,4-triazol-3-yl)methyl]piperidine
PubChem CID86820602
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-[(4-benzyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESc1ccc(Cn2cnnc2CC2CCCNC2)cc1
InChIInChI=1S/C15H20N4/c1-2-5-13(6-3-1)11-19-12-17-18-15(19)9-14-7-4-8-16-10-14/h1-3,5-6,12,14,16H,4,7-11H2
InChIKeyLGQUCCUJQMGJTD-UHFFFAOYSA-N
XLogP1.87
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzyl-1,2,4-triazol-3-yl)methyl]piperidine?
The IUPAC name of 3-[(4-benzyl-1,2,4-triazol-3-yl)methyl]piperidine (CID 86820602) is 3-[(4-benzyl-1,2,4-triazol-3-yl)methyl]piperidine.
What is the SMILES notation for 3-[(4-benzyl-1,2,4-triazol-3-yl)methyl]piperidine?
The canonical SMILES for 3-[(4-benzyl-1,2,4-triazol-3-yl)methyl]piperidine is c1ccc(Cn2cnnc2CC2CCCNC2)cc1.
What is the InChIKey of 3-[(4-benzyl-1,2,4-triazol-3-yl)methyl]piperidine?
The InChIKey is LGQUCCUJQMGJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-5-13(6-3-1)11-19-12-17-18-15(19)9-14-7-4-8-16-10-14/h1-3,5-6,12,14,16H,4,7-11H2.
What are the key properties of 3-[(4-benzyl-1,2,4-triazol-3-yl)methyl]piperidine?
3-[(4-benzyl-1,2,4-triazol-3-yl)methyl]piperidine has a molecular weight of 256.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzyl-1,2,4-triazol-3-yl)methyl]piperidine is sourced from PubChem (CID 86820602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).