4-(4-tert-butyltriazol-1-yl)-1-(thiolan-3-yl)piperidine

C15H26N4S — CID 45187534

IUPAC4-(4-tert-butyltriazol-1-yl)-1-(thiolan-3-yl)piperidine
SMILESCC(C)(C)c1cn(C2CCN(C3CCSC3)CC2)nn1
InChIInChI=1S/C15H26N4S/c1-15(2,3)14-10-19(17-16-14)12-4-7-18(8-5-12)13-6-9-20-11-13/h10,12-13H,4-9,11H2,1-3H3
InChIKeyFSFGBRURAVAAST-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.72
Rot. Bonds2

About 4-(4-tert-butyltriazol-1-yl)-1-(thiolan-3-yl)piperidine

4-(4-tert-butyltriazol-1-yl)-1-(thiolan-3-yl)piperidine (PubChem CID 45187534) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 4-(4-tert-butyltriazol-1-yl)-1-(thiolan-3-yl)piperidine.

Molecular Properties

Compound Name4-(4-tert-butyltriazol-1-yl)-1-(thiolan-3-yl)piperidine
PubChem CID45187534
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name4-(4-tert-butyltriazol-1-yl)-1-(thiolan-3-yl)piperidine
SMILESCC(C)(C)c1cn(C2CCN(C3CCSC3)CC2)nn1
InChIInChI=1S/C15H26N4S/c1-15(2,3)14-10-19(17-16-14)12-4-7-18(8-5-12)13-6-9-20-11-13/h10,12-13H,4-9,11H2,1-3H3
InChIKeyFSFGBRURAVAAST-UHFFFAOYSA-N
XLogP2.72
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyltriazol-1-yl)-1-(thiolan-3-yl)piperidine?
The IUPAC name of 4-(4-tert-butyltriazol-1-yl)-1-(thiolan-3-yl)piperidine (CID 45187534) is 4-(4-tert-butyltriazol-1-yl)-1-(thiolan-3-yl)piperidine.
What is the SMILES notation for 4-(4-tert-butyltriazol-1-yl)-1-(thiolan-3-yl)piperidine?
The canonical SMILES for 4-(4-tert-butyltriazol-1-yl)-1-(thiolan-3-yl)piperidine is CC(C)(C)c1cn(C2CCN(C3CCSC3)CC2)nn1.
What is the InChIKey of 4-(4-tert-butyltriazol-1-yl)-1-(thiolan-3-yl)piperidine?
The InChIKey is FSFGBRURAVAAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-15(2,3)14-10-19(17-16-14)12-4-7-18(8-5-12)13-6-9-20-11-13/h10,12-13H,4-9,11H2,1-3H3.
What are the key properties of 4-(4-tert-butyltriazol-1-yl)-1-(thiolan-3-yl)piperidine?
4-(4-tert-butyltriazol-1-yl)-1-(thiolan-3-yl)piperidine has a molecular weight of 294.47 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyltriazol-1-yl)-1-(thiolan-3-yl)piperidine is sourced from PubChem (CID 45187534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).