1-[2-(chloromethyl)-4-fluorophenyl]-3,5-dimethylpiperidine

C14H19ClFN — CID 43313521

IUPAC1-[2-(chloromethyl)-4-fluorophenyl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(c2ccc(F)cc2CCl)C1
InChIInChI=1S/C14H19ClFN/c1-10-5-11(2)9-17(8-10)14-4-3-13(16)6-12(14)7-15/h3-4,6,10-11H,5,7-9H2,1-2H3
InChIKeyMILHJCSOTZTHGP-UHFFFAOYSA-N
MW255.76 g/mol
LogP4.05
Rot. Bonds2

About 1-[2-(chloromethyl)-4-fluorophenyl]-3,5-dimethylpiperidine

1-[2-(chloromethyl)-4-fluorophenyl]-3,5-dimethylpiperidine (PubChem CID 43313521) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 1-[2-(chloromethyl)-4-fluorophenyl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-[2-(chloromethyl)-4-fluorophenyl]-3,5-dimethylpiperidine
PubChem CID43313521
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name1-[2-(chloromethyl)-4-fluorophenyl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(c2ccc(F)cc2CCl)C1
InChIInChI=1S/C14H19ClFN/c1-10-5-11(2)9-17(8-10)14-4-3-13(16)6-12(14)7-15/h3-4,6,10-11H,5,7-9H2,1-2H3
InChIKeyMILHJCSOTZTHGP-UHFFFAOYSA-N
XLogP4.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[2-(chloromethyl)-4-fluorophenyl]-3,5-dimethylpiperidine 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-(chloromethyl)-4-fluorophenyl]-3,5-dimethylpiperidine?
The IUPAC name of 1-[2-(chloromethyl)-4-fluorophenyl]-3,5-dimethylpiperidine (CID 43313521) is 1-[2-(chloromethyl)-4-fluorophenyl]-3,5-dimethylpiperidine.
What is the SMILES notation for 1-[2-(chloromethyl)-4-fluorophenyl]-3,5-dimethylpiperidine?
The canonical SMILES for 1-[2-(chloromethyl)-4-fluorophenyl]-3,5-dimethylpiperidine is CC1CC(C)CN(c2ccc(F)cc2CCl)C1.
What is the InChIKey of 1-[2-(chloromethyl)-4-fluorophenyl]-3,5-dimethylpiperidine?
The InChIKey is MILHJCSOTZTHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-10-5-11(2)9-17(8-10)14-4-3-13(16)6-12(14)7-15/h3-4,6,10-11H,5,7-9H2,1-2H3.
What are the key properties of 1-[2-(chloromethyl)-4-fluorophenyl]-3,5-dimethylpiperidine?
1-[2-(chloromethyl)-4-fluorophenyl]-3,5-dimethylpiperidine has a molecular weight of 255.76 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)-4-fluorophenyl]-3,5-dimethylpiperidine is sourced from PubChem (CID 43313521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).