2-fluoro-3-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine

C11H18FN3 — CID 57242922

IUPAC2-fluoro-3-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine
SMILESCc1[nH]cnc1CC1CCC(C)C(F)N1
InChIInChI=1S/C11H18FN3/c1-7-3-4-9(15-11(7)12)5-10-8(2)13-6-14-10/h6-7,9,11,15H,3-5H2,1-2H3,(H,13,14)
InChIKeyACWZDCLPOCGDQX-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.94
Rot. Bonds2

About 2-fluoro-3-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine

2-fluoro-3-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine (PubChem CID 57242922) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-fluoro-3-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name2-fluoro-3-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine
PubChem CID57242922
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name2-fluoro-3-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine
SMILESCc1[nH]cnc1CC1CCC(C)C(F)N1
InChIInChI=1S/C11H18FN3/c1-7-3-4-9(15-11(7)12)5-10-8(2)13-6-14-10/h6-7,9,11,15H,3-5H2,1-2H3,(H,13,14)
InChIKeyACWZDCLPOCGDQX-UHFFFAOYSA-N
XLogP1.94
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-fluoro-3-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine 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 2-fluoro-3-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine?
The IUPAC name of 2-fluoro-3-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine (CID 57242922) is 2-fluoro-3-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine.
What is the SMILES notation for 2-fluoro-3-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine?
The canonical SMILES for 2-fluoro-3-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine is Cc1[nH]cnc1CC1CCC(C)C(F)N1.
What is the InChIKey of 2-fluoro-3-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine?
The InChIKey is ACWZDCLPOCGDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-7-3-4-9(15-11(7)12)5-10-8(2)13-6-14-10/h6-7,9,11,15H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-fluoro-3-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine?
2-fluoro-3-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine has a molecular weight of 211.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-6-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine is sourced from PubChem (CID 57242922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).