4-[2-(triazol-1-yl)ethyl]piperidine

C9H16N4 — CID 18928776

IUPAC4-[2-(triazol-1-yl)ethyl]piperidine
SMILESc1cn(CCC2CCNCC2)nn1
InChIInChI=1S/C9H16N4/c1-4-10-5-2-9(1)3-7-13-8-6-11-12-13/h6,8-10H,1-5,7H2
InChIKeyCOPBITUJGYMUFD-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.67
Rot. Bonds3

About 4-[2-(triazol-1-yl)ethyl]piperidine

4-[2-(triazol-1-yl)ethyl]piperidine (PubChem CID 18928776) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-[2-(triazol-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(triazol-1-yl)ethyl]piperidine
PubChem CID18928776
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-[2-(triazol-1-yl)ethyl]piperidine
SMILESc1cn(CCC2CCNCC2)nn1
InChIInChI=1S/C9H16N4/c1-4-10-5-2-9(1)3-7-13-8-6-11-12-13/h6,8-10H,1-5,7H2
InChIKeyCOPBITUJGYMUFD-UHFFFAOYSA-N
XLogP0.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(triazol-1-yl)ethyl]piperidine?
The IUPAC name of 4-[2-(triazol-1-yl)ethyl]piperidine (CID 18928776) is 4-[2-(triazol-1-yl)ethyl]piperidine.
What is the SMILES notation for 4-[2-(triazol-1-yl)ethyl]piperidine?
The canonical SMILES for 4-[2-(triazol-1-yl)ethyl]piperidine is c1cn(CCC2CCNCC2)nn1.
What is the InChIKey of 4-[2-(triazol-1-yl)ethyl]piperidine?
The InChIKey is COPBITUJGYMUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-4-10-5-2-9(1)3-7-13-8-6-11-12-13/h6,8-10H,1-5,7H2.
What are the key properties of 4-[2-(triazol-1-yl)ethyl]piperidine?
4-[2-(triazol-1-yl)ethyl]piperidine has a molecular weight of 180.25 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(triazol-1-yl)ethyl]piperidine is sourced from PubChem (CID 18928776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).