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

C13H23FN4 — CID 112563853

IUPAC4-[1-fluoro-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine
SMILESCC(C)Cn1ncnc1CC(F)C1CCNCC1
InChIInChI=1S/C13H23FN4/c1-10(2)8-18-13(16-9-17-18)7-12(14)11-3-5-15-6-4-11/h9-12,15H,3-8H2,1-2H3
InChIKeyYSAZQQVXMQNDOM-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.81
Rot. Bonds5

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

4-[1-fluoro-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine (PubChem CID 112563853) has the molecular formula C13H23FN4 and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-[1-fluoro-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine.

Molecular Properties

Compound Name4-[1-fluoro-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine
PubChem CID112563853
Molecular FormulaC13H23FN4
Molecular Weight254.35 g/mol
Exact Mass254.19
IUPAC Name4-[1-fluoro-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine
SMILESCC(C)Cn1ncnc1CC(F)C1CCNCC1
InChIInChI=1S/C13H23FN4/c1-10(2)8-18-13(16-9-17-18)7-12(14)11-3-5-15-6-4-11/h9-12,15H,3-8H2,1-2H3
InChIKeyYSAZQQVXMQNDOM-UHFFFAOYSA-N
XLogP1.81
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-fluoro-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine?
The IUPAC name of 4-[1-fluoro-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine (CID 112563853) is 4-[1-fluoro-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine.
What is the SMILES notation for 4-[1-fluoro-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine?
The canonical SMILES for 4-[1-fluoro-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine is CC(C)Cn1ncnc1CC(F)C1CCNCC1.
What is the InChIKey of 4-[1-fluoro-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine?
The InChIKey is YSAZQQVXMQNDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN4/c1-10(2)8-18-13(16-9-17-18)7-12(14)11-3-5-15-6-4-11/h9-12,15H,3-8H2,1-2H3.
What are the key properties of 4-[1-fluoro-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine?
4-[1-fluoro-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine has a molecular weight of 254.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-fluoro-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine is sourced from PubChem (CID 112563853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).