4-[5-(2H-triazol-4-yl)pentyl]piperidine

C12H22N4 — CID 86722723

IUPAC4-[5-(2H-triazol-4-yl)pentyl]piperidine
SMILESc1n[nH]nc1CCCCCC1CCNCC1
InChIInChI=1S/C12H22N4/c1(3-5-12-10-14-16-15-12)2-4-11-6-8-13-9-7-11/h10-11,13H,1-9H2,(H,14,15,16)
InChIKeyBIYIRHQWZSSVEW-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.91
Rot. Bonds6

About 4-[5-(2H-triazol-4-yl)pentyl]piperidine

4-[5-(2H-triazol-4-yl)pentyl]piperidine (PubChem CID 86722723) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-[5-(2H-triazol-4-yl)pentyl]piperidine.

Molecular Properties

Compound Name4-[5-(2H-triazol-4-yl)pentyl]piperidine
PubChem CID86722723
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-[5-(2H-triazol-4-yl)pentyl]piperidine
SMILESc1n[nH]nc1CCCCCC1CCNCC1
InChIInChI=1S/C12H22N4/c1(3-5-12-10-14-16-15-12)2-4-11-6-8-13-9-7-11/h10-11,13H,1-9H2,(H,14,15,16)
InChIKeyBIYIRHQWZSSVEW-UHFFFAOYSA-N
XLogP1.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2H-triazol-4-yl)pentyl]piperidine?
The IUPAC name of 4-[5-(2H-triazol-4-yl)pentyl]piperidine (CID 86722723) is 4-[5-(2H-triazol-4-yl)pentyl]piperidine.
What is the SMILES notation for 4-[5-(2H-triazol-4-yl)pentyl]piperidine?
The canonical SMILES for 4-[5-(2H-triazol-4-yl)pentyl]piperidine is c1n[nH]nc1CCCCCC1CCNCC1.
What is the InChIKey of 4-[5-(2H-triazol-4-yl)pentyl]piperidine?
The InChIKey is BIYIRHQWZSSVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1(3-5-12-10-14-16-15-12)2-4-11-6-8-13-9-7-11/h10-11,13H,1-9H2,(H,14,15,16).
What are the key properties of 4-[5-(2H-triazol-4-yl)pentyl]piperidine?
4-[5-(2H-triazol-4-yl)pentyl]piperidine has a molecular weight of 222.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2H-triazol-4-yl)pentyl]piperidine is sourced from PubChem (CID 86722723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).