4-[3-(1-methyl-1,2,4-triazol-3-yl)-1-bicyclo[1.1.1]pentanyl]piperidine

C13H20N4 — CID 122588813

IUPAC4-[3-(1-methyl-1,2,4-triazol-3-yl)-1-bicyclo[1.1.1]pentanyl]piperidine
SMILESCn1cnc(C23CC(C4CCNCC4)(C2)C3)n1
InChIInChI=1S/C13H20N4/c1-17-9-15-11(16-17)13-6-12(7-13,8-13)10-2-4-14-5-3-10/h9-10,14H,2-8H2,1H3
InChIKeyZCFWMAMMSBBQEW-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.24
Rot. Bonds2

About 4-[3-(1-methyl-1,2,4-triazol-3-yl)-1-bicyclo[1.1.1]pentanyl]piperidine

4-[3-(1-methyl-1,2,4-triazol-3-yl)-1-bicyclo[1.1.1]pentanyl]piperidine (PubChem CID 122588813) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-[3-(1-methyl-1,2,4-triazol-3-yl)-1-bicyclo[1.1.1]pentanyl]piperidine.

Molecular Properties

Compound Name4-[3-(1-methyl-1,2,4-triazol-3-yl)-1-bicyclo[1.1.1]pentanyl]piperidine
PubChem CID122588813
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name4-[3-(1-methyl-1,2,4-triazol-3-yl)-1-bicyclo[1.1.1]pentanyl]piperidine
SMILESCn1cnc(C23CC(C4CCNCC4)(C2)C3)n1
InChIInChI=1S/C13H20N4/c1-17-9-15-11(16-17)13-6-12(7-13,8-13)10-2-4-14-5-3-10/h9-10,14H,2-8H2,1H3
InChIKeyZCFWMAMMSBBQEW-UHFFFAOYSA-N
XLogP1.24
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methyl-1,2,4-triazol-3-yl)-1-bicyclo[1.1.1]pentanyl]piperidine?
The IUPAC name of 4-[3-(1-methyl-1,2,4-triazol-3-yl)-1-bicyclo[1.1.1]pentanyl]piperidine (CID 122588813) is 4-[3-(1-methyl-1,2,4-triazol-3-yl)-1-bicyclo[1.1.1]pentanyl]piperidine.
What is the SMILES notation for 4-[3-(1-methyl-1,2,4-triazol-3-yl)-1-bicyclo[1.1.1]pentanyl]piperidine?
The canonical SMILES for 4-[3-(1-methyl-1,2,4-triazol-3-yl)-1-bicyclo[1.1.1]pentanyl]piperidine is Cn1cnc(C23CC(C4CCNCC4)(C2)C3)n1.
What is the InChIKey of 4-[3-(1-methyl-1,2,4-triazol-3-yl)-1-bicyclo[1.1.1]pentanyl]piperidine?
The InChIKey is ZCFWMAMMSBBQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-17-9-15-11(16-17)13-6-12(7-13,8-13)10-2-4-14-5-3-10/h9-10,14H,2-8H2,1H3.
What are the key properties of 4-[3-(1-methyl-1,2,4-triazol-3-yl)-1-bicyclo[1.1.1]pentanyl]piperidine?
4-[3-(1-methyl-1,2,4-triazol-3-yl)-1-bicyclo[1.1.1]pentanyl]piperidine has a molecular weight of 232.33 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methyl-1,2,4-triazol-3-yl)-1-bicyclo[1.1.1]pentanyl]piperidine is sourced from PubChem (CID 122588813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).