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

C11H19FN4 — CID 126793839

IUPAC1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoro-3-methylpiperidine
SMILESCCn1ncnc1CN1CCCC(C)(F)C1
InChIInChI=1S/C11H19FN4/c1-3-16-10(13-9-14-16)7-15-6-4-5-11(2,12)8-15/h9H,3-8H2,1-2H3
InChIKeyCPAJVFZGAVVWIR-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.62
Rot. Bonds3

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

1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoro-3-methylpiperidine (PubChem CID 126793839) has the molecular formula C11H19FN4 and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoro-3-methylpiperidine.

Molecular Properties

Compound Name1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoro-3-methylpiperidine
PubChem CID126793839
Molecular FormulaC11H19FN4
Molecular Weight226.30 g/mol
Exact Mass226.16
IUPAC Name1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoro-3-methylpiperidine
SMILESCCn1ncnc1CN1CCCC(C)(F)C1
InChIInChI=1S/C11H19FN4/c1-3-16-10(13-9-14-16)7-15-6-4-5-11(2,12)8-15/h9H,3-8H2,1-2H3
InChIKeyCPAJVFZGAVVWIR-UHFFFAOYSA-N
XLogP1.62
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoro-3-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoro-3-methylpiperidine?
The IUPAC name of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoro-3-methylpiperidine (CID 126793839) is 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoro-3-methylpiperidine.
What is the SMILES notation for 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoro-3-methylpiperidine?
The canonical SMILES for 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoro-3-methylpiperidine is CCn1ncnc1CN1CCCC(C)(F)C1.
What is the InChIKey of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoro-3-methylpiperidine?
The InChIKey is CPAJVFZGAVVWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4/c1-3-16-10(13-9-14-16)7-15-6-4-5-11(2,12)8-15/h9H,3-8H2,1-2H3.
What are the key properties of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoro-3-methylpiperidine?
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoro-3-methylpiperidine has a molecular weight of 226.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoro-3-methylpiperidine is sourced from PubChem (CID 126793839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).