4-(4-cyclopropyltriazol-1-yl)-1-(thiophen-2-ylmethyl)piperidine

C15H20N4S — CID 30897830

IUPAC4-(4-cyclopropyltriazol-1-yl)-1-(thiophen-2-ylmethyl)piperidine
SMILESc1csc(CN2CCC(n3cc(C4CC4)nn3)CC2)c1
InChIInChI=1S/C15H20N4S/c1-2-14(20-9-1)10-18-7-5-13(6-8-18)19-11-15(16-17-19)12-3-4-12/h1-2,9,11-13H,3-8,10H2
InChIKeyQIGWSTVCGFNAAT-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.05
Rot. Bonds4

About 4-(4-cyclopropyltriazol-1-yl)-1-(thiophen-2-ylmethyl)piperidine

4-(4-cyclopropyltriazol-1-yl)-1-(thiophen-2-ylmethyl)piperidine (PubChem CID 30897830) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-(4-cyclopropyltriazol-1-yl)-1-(thiophen-2-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(4-cyclopropyltriazol-1-yl)-1-(thiophen-2-ylmethyl)piperidine
PubChem CID30897830
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name4-(4-cyclopropyltriazol-1-yl)-1-(thiophen-2-ylmethyl)piperidine
SMILESc1csc(CN2CCC(n3cc(C4CC4)nn3)CC2)c1
InChIInChI=1S/C15H20N4S/c1-2-14(20-9-1)10-18-7-5-13(6-8-18)19-11-15(16-17-19)12-3-4-12/h1-2,9,11-13H,3-8,10H2
InChIKeyQIGWSTVCGFNAAT-UHFFFAOYSA-N
XLogP3.05
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropyltriazol-1-yl)-1-(thiophen-2-ylmethyl)piperidine?
The IUPAC name of 4-(4-cyclopropyltriazol-1-yl)-1-(thiophen-2-ylmethyl)piperidine (CID 30897830) is 4-(4-cyclopropyltriazol-1-yl)-1-(thiophen-2-ylmethyl)piperidine.
What is the SMILES notation for 4-(4-cyclopropyltriazol-1-yl)-1-(thiophen-2-ylmethyl)piperidine?
The canonical SMILES for 4-(4-cyclopropyltriazol-1-yl)-1-(thiophen-2-ylmethyl)piperidine is c1csc(CN2CCC(n3cc(C4CC4)nn3)CC2)c1.
What is the InChIKey of 4-(4-cyclopropyltriazol-1-yl)-1-(thiophen-2-ylmethyl)piperidine?
The InChIKey is QIGWSTVCGFNAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-2-14(20-9-1)10-18-7-5-13(6-8-18)19-11-15(16-17-19)12-3-4-12/h1-2,9,11-13H,3-8,10H2.
What are the key properties of 4-(4-cyclopropyltriazol-1-yl)-1-(thiophen-2-ylmethyl)piperidine?
4-(4-cyclopropyltriazol-1-yl)-1-(thiophen-2-ylmethyl)piperidine has a molecular weight of 288.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyltriazol-1-yl)-1-(thiophen-2-ylmethyl)piperidine is sourced from PubChem (CID 30897830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).