4-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine

C13H18N4S — CID 53192270

IUPAC4-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine
SMILESCc1nc(C2CCN(Cc3cccs3)CC2)n[nH]1
InChIInChI=1S/C13H18N4S/c1-10-14-13(16-15-10)11-4-6-17(7-5-11)9-12-3-2-8-18-12/h2-3,8,11H,4-7,9H2,1H3,(H,14,15,16)
InChIKeyCYEIDIMSNHPOBJ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.55
Rot. Bonds3

About 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine

4-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine (PubChem CID 53192270) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine
PubChem CID53192270
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name4-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine
SMILESCc1nc(C2CCN(Cc3cccs3)CC2)n[nH]1
InChIInChI=1S/C13H18N4S/c1-10-14-13(16-15-10)11-4-6-17(7-5-11)9-12-3-2-8-18-12/h2-3,8,11H,4-7,9H2,1H3,(H,14,15,16)
InChIKeyCYEIDIMSNHPOBJ-UHFFFAOYSA-N
XLogP2.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine?
The IUPAC name of 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine (CID 53192270) is 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine.
What is the SMILES notation for 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine?
The canonical SMILES for 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine is Cc1nc(C2CCN(Cc3cccs3)CC2)n[nH]1.
What is the InChIKey of 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine?
The InChIKey is CYEIDIMSNHPOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-10-14-13(16-15-10)11-4-6-17(7-5-11)9-12-3-2-8-18-12/h2-3,8,11H,4-7,9H2,1H3,(H,14,15,16).
What are the key properties of 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine?
4-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine has a molecular weight of 262.38 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine is sourced from PubChem (CID 53192270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).