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

C9H16N4 — CID 57222232

IUPAC1-[1-(2H-triazol-4-yl)ethyl]piperidine
SMILESCC(c1cn[nH]n1)N1CCCCC1
InChIInChI=1S/C9H16N4/c1-8(9-7-10-12-11-9)13-5-3-2-4-6-13/h7-8H,2-6H2,1H3,(H,10,11,12)
InChIKeyRXEVCSGQGLGTLX-UHFFFAOYSA-N
MW180.26 g/mol
LogP1.35
Rot. Bonds2

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

1-[1-(2H-triazol-4-yl)ethyl]piperidine (PubChem CID 57222232) has the molecular formula C9H16N4 and a molecular weight of 180.26 g/mol. Its IUPAC name is 1-[1-(2H-triazol-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name1-[1-(2H-triazol-4-yl)ethyl]piperidine
PubChem CID57222232
Molecular FormulaC9H16N4
Molecular Weight180.26 g/mol
Exact Mass180.14
IUPAC Name1-[1-(2H-triazol-4-yl)ethyl]piperidine
SMILESCC(c1cn[nH]n1)N1CCCCC1
InChIInChI=1S/C9H16N4/c1-8(9-7-10-12-11-9)13-5-3-2-4-6-13/h7-8H,2-6H2,1H3,(H,10,11,12)
InChIKeyRXEVCSGQGLGTLX-UHFFFAOYSA-N
XLogP1.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2H-triazol-4-yl)ethyl]piperidine?
The IUPAC name of 1-[1-(2H-triazol-4-yl)ethyl]piperidine (CID 57222232) is 1-[1-(2H-triazol-4-yl)ethyl]piperidine.
What is the SMILES notation for 1-[1-(2H-triazol-4-yl)ethyl]piperidine?
The canonical SMILES for 1-[1-(2H-triazol-4-yl)ethyl]piperidine is CC(c1cn[nH]n1)N1CCCCC1.
What is the InChIKey of 1-[1-(2H-triazol-4-yl)ethyl]piperidine?
The InChIKey is RXEVCSGQGLGTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-8(9-7-10-12-11-9)13-5-3-2-4-6-13/h7-8H,2-6H2,1H3,(H,10,11,12).
What are the key properties of 1-[1-(2H-triazol-4-yl)ethyl]piperidine?
1-[1-(2H-triazol-4-yl)ethyl]piperidine has a molecular weight of 180.26 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2H-triazol-4-yl)ethyl]piperidine is sourced from PubChem (CID 57222232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).