4-chloro-2-fluoro-3,5,6-trimethylpiperidine

C8H15ClFN — CID 123310058

IUPAC4-chloro-2-fluoro-3,5,6-trimethylpiperidine
SMILESCC1NC(F)C(C)C(Cl)C1C
InChIInChI=1S/C8H15ClFN/c1-4-6(3)11-8(10)5(2)7(4)9/h4-8,11H,1-3H3
InChIKeyUQJNPVHNGJKUCM-UHFFFAOYSA-N
MW179.67 g/mol
LogP2.15
Rot. Bonds

About 4-chloro-2-fluoro-3,5,6-trimethylpiperidine

4-chloro-2-fluoro-3,5,6-trimethylpiperidine (PubChem CID 123310058) has the molecular formula C8H15ClFN and a molecular weight of 179.67 g/mol. Its IUPAC name is 4-chloro-2-fluoro-3,5,6-trimethylpiperidine.

Molecular Properties

Compound Name4-chloro-2-fluoro-3,5,6-trimethylpiperidine
PubChem CID123310058
Molecular FormulaC8H15ClFN
Molecular Weight179.67 g/mol
Exact Mass179.09
IUPAC Name4-chloro-2-fluoro-3,5,6-trimethylpiperidine
SMILESCC1NC(F)C(C)C(Cl)C1C
InChIInChI=1S/C8H15ClFN/c1-4-6(3)11-8(10)5(2)7(4)9/h4-8,11H,1-3H3
InChIKeyUQJNPVHNGJKUCM-UHFFFAOYSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.67
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chloro-2-fluoro-3,5,6-trimethylpiperidine 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 4-chloro-2-fluoro-3,5,6-trimethylpiperidine?
The IUPAC name of 4-chloro-2-fluoro-3,5,6-trimethylpiperidine (CID 123310058) is 4-chloro-2-fluoro-3,5,6-trimethylpiperidine.
What is the SMILES notation for 4-chloro-2-fluoro-3,5,6-trimethylpiperidine?
The canonical SMILES for 4-chloro-2-fluoro-3,5,6-trimethylpiperidine is CC1NC(F)C(C)C(Cl)C1C.
What is the InChIKey of 4-chloro-2-fluoro-3,5,6-trimethylpiperidine?
The InChIKey is UQJNPVHNGJKUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClFN/c1-4-6(3)11-8(10)5(2)7(4)9/h4-8,11H,1-3H3.
What are the key properties of 4-chloro-2-fluoro-3,5,6-trimethylpiperidine?
4-chloro-2-fluoro-3,5,6-trimethylpiperidine has a molecular weight of 179.67 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-3,5,6-trimethylpiperidine is sourced from PubChem (CID 123310058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).