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

C15H20N4 — CID 3627421

IUPAC1-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCn1cnnc1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H20N4/c1-18-12-16-17-15(18)14-7-9-19(10-8-14)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3
InChIKeyJCFPQYCNDCXHJK-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.19
Rot. Bonds3

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

1-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 3627421) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID3627421
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCn1cnnc1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H20N4/c1-18-12-16-17-15(18)14-7-9-19(10-8-14)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3
InChIKeyJCFPQYCNDCXHJK-UHFFFAOYSA-N
XLogP2.19
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine (CID 3627421) is 1-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine is Cn1cnnc1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is JCFPQYCNDCXHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-18-12-16-17-15(18)14-7-9-19(10-8-14)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3.
What are the key properties of 1-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
1-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 256.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 3627421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).