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

C14H19ClFN — CID 22197972

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(Cc2ccc(F)cc2Cl)C1
InChIInChI=1S/C14H19ClFN/c1-10-5-11(2)8-17(7-10)9-12-3-4-13(16)6-14(12)15/h3-4,6,10-11H,5,7-9H2,1-2H3
InChIKeyLMZGBMPUSGCEKB-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.96
Rot. Bonds2

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

1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpiperidine (PubChem CID 22197972) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpiperidine
PubChem CID22197972
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(Cc2ccc(F)cc2Cl)C1
InChIInChI=1S/C14H19ClFN/c1-10-5-11(2)8-17(7-10)9-12-3-4-13(16)6-14(12)15/h3-4,6,10-11H,5,7-9H2,1-2H3
InChIKeyLMZGBMPUSGCEKB-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(2-chloro-4-fluorophenyl)methyl]-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

Related Compounds

4-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidine
CID 114682230
1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79867288
N-[(2-chloro-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115732712
1-[1-[(2-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine
CID 66195617
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267587
1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperidin-3-amine
CID 105372590
[1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 54989344
4-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 81214267
1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775728
1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103576941
1-[(2-chloro-4-fluorophenyl)methyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041991
3-tert-butyl-1-[(2-chloro-4-fluorophenyl)methyl]-1,4-diazepane
CID 64870113

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpiperidine?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpiperidine (CID 22197972) is 1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpiperidine.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpiperidine?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpiperidine is CC1CC(C)CN(Cc2ccc(F)cc2Cl)C1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpiperidine?
The InChIKey is LMZGBMPUSGCEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-10-5-11(2)8-17(7-10)9-12-3-4-13(16)6-14(12)15/h3-4,6,10-11H,5,7-9H2,1-2H3.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpiperidine?
1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpiperidine has a molecular weight of 255.76 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpiperidine is sourced from PubChem (CID 22197972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).