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

C15H20N4 — CID 62709390

IUPAC4-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]piperidine
SMILESc1ccc(-n2cnnc2CCC2CCNCC2)cc1
InChIInChI=1S/C15H20N4/c1-2-4-14(5-3-1)19-12-17-18-15(19)7-6-13-8-10-16-11-9-13/h1-5,12-13,16H,6-11H2
InChIKeyNAIMRXSPRGNQHI-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.20
Rot. Bonds4

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

4-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]piperidine (PubChem CID 62709390) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]piperidine
PubChem CID62709390
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]piperidine
SMILESc1ccc(-n2cnnc2CCC2CCNCC2)cc1
InChIInChI=1S/C15H20N4/c1-2-4-14(5-3-1)19-12-17-18-15(19)7-6-13-8-10-16-11-9-13/h1-5,12-13,16H,6-11H2
InChIKeyNAIMRXSPRGNQHI-UHFFFAOYSA-N
XLogP2.20
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]piperidine?
The IUPAC name of 4-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]piperidine (CID 62709390) is 4-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]piperidine.
What is the SMILES notation for 4-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]piperidine?
The canonical SMILES for 4-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]piperidine is c1ccc(-n2cnnc2CCC2CCNCC2)cc1.
What is the InChIKey of 4-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]piperidine?
The InChIKey is NAIMRXSPRGNQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-4-14(5-3-1)19-12-17-18-15(19)7-6-13-8-10-16-11-9-13/h1-5,12-13,16H,6-11H2.
What are the key properties of 4-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]piperidine?
4-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]piperidine has a molecular weight of 256.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]piperidine is sourced from PubChem (CID 62709390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).