1-(1-thiophen-3-ylethyl)-4-(triazol-1-yl)piperidine

C13H18N4S — CID 121183694

IUPAC1-(1-thiophen-3-ylethyl)-4-(triazol-1-yl)piperidine
SMILESCC(c1ccsc1)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C13H18N4S/c1-11(12-4-9-18-10-12)16-6-2-13(3-7-16)17-8-5-14-15-17/h4-5,8-11,13H,2-3,6-7H2,1H3
InChIKeyZVSILBCGVJUVJN-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.74
Rot. Bonds3

About 1-(1-thiophen-3-ylethyl)-4-(triazol-1-yl)piperidine

1-(1-thiophen-3-ylethyl)-4-(triazol-1-yl)piperidine (PubChem CID 121183694) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(1-thiophen-3-ylethyl)-4-(triazol-1-yl)piperidine.

Molecular Properties

Compound Name1-(1-thiophen-3-ylethyl)-4-(triazol-1-yl)piperidine
PubChem CID121183694
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name1-(1-thiophen-3-ylethyl)-4-(triazol-1-yl)piperidine
SMILESCC(c1ccsc1)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C13H18N4S/c1-11(12-4-9-18-10-12)16-6-2-13(3-7-16)17-8-5-14-15-17/h4-5,8-11,13H,2-3,6-7H2,1H3
InChIKeyZVSILBCGVJUVJN-UHFFFAOYSA-N
XLogP2.74
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-thiophen-3-ylethyl)-4-(triazol-1-yl)piperidine?
The IUPAC name of 1-(1-thiophen-3-ylethyl)-4-(triazol-1-yl)piperidine (CID 121183694) is 1-(1-thiophen-3-ylethyl)-4-(triazol-1-yl)piperidine.
What is the SMILES notation for 1-(1-thiophen-3-ylethyl)-4-(triazol-1-yl)piperidine?
The canonical SMILES for 1-(1-thiophen-3-ylethyl)-4-(triazol-1-yl)piperidine is CC(c1ccsc1)N1CCC(n2ccnn2)CC1.
What is the InChIKey of 1-(1-thiophen-3-ylethyl)-4-(triazol-1-yl)piperidine?
The InChIKey is ZVSILBCGVJUVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-11(12-4-9-18-10-12)16-6-2-13(3-7-16)17-8-5-14-15-17/h4-5,8-11,13H,2-3,6-7H2,1H3.
What are the key properties of 1-(1-thiophen-3-ylethyl)-4-(triazol-1-yl)piperidine?
1-(1-thiophen-3-ylethyl)-4-(triazol-1-yl)piperidine has a molecular weight of 262.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-thiophen-3-ylethyl)-4-(triazol-1-yl)piperidine is sourced from PubChem (CID 121183694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).