3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine

C10H18N4 — CID 62692599

IUPAC3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine
SMILESCn1cnnc1CCC1CCCNC1
InChIInChI=1S/C10H18N4/c1-14-8-12-13-10(14)5-4-9-3-2-6-11-7-9/h8-9,11H,2-7H2,1H3
InChIKeyDZWRUSDFNORUMZ-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.75
Rot. Bonds3

About 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine

3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine (PubChem CID 62692599) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine
PubChem CID62692599
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine
SMILESCn1cnnc1CCC1CCCNC1
InChIInChI=1S/C10H18N4/c1-14-8-12-13-10(14)5-4-9-3-2-6-11-7-9/h8-9,11H,2-7H2,1H3
InChIKeyDZWRUSDFNORUMZ-UHFFFAOYSA-N
XLogP0.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine?
The IUPAC name of 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine (CID 62692599) is 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine.
What is the SMILES notation for 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine?
The canonical SMILES for 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine is Cn1cnnc1CCC1CCCNC1.
What is the InChIKey of 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine?
The InChIKey is DZWRUSDFNORUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-14-8-12-13-10(14)5-4-9-3-2-6-11-7-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine?
3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine has a molecular weight of 194.28 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine is sourced from PubChem (CID 62692599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).