methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methyl]piperidine-4-carboxylate

C24H27Cl2FN2O2 — CID 166534841

IUPACmethyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2c(C)cc(C3CN(c4c(Cl)cccc4Cl)C3)cc2F)CC1
InChIInChI=1S/C24H27Cl2FN2O2/c1-15-10-17(18-12-29(13-18)23-20(25)4-3-5-21(23)26)11-22(27)19(15)14-28-8-6-16(7-9-28)24(30)31-2/h3-5,10-11,16,18H,6-9,12-14H2,1-2H3
InChIKeyHUCHMGKIQKXEOB-UHFFFAOYSA-N
MW465.40 g/mol
LogP5.43
Rot. Bonds5

About methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methyl]piperidine-4-carboxylate

methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methyl]piperidine-4-carboxylate (PubChem CID 166534841) has the molecular formula C24H27Cl2FN2O2 and a molecular weight of 465.40 g/mol. Its IUPAC name is methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methyl]piperidine-4-carboxylate
PubChem CID166534841
Molecular FormulaC24H27Cl2FN2O2
Molecular Weight465.40 g/mol
Exact Mass464.14
IUPAC Namemethyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2c(C)cc(C3CN(c4c(Cl)cccc4Cl)C3)cc2F)CC1
InChIInChI=1S/C24H27Cl2FN2O2/c1-15-10-17(18-12-29(13-18)23-20(25)4-3-5-21(23)26)11-22(27)19(15)14-28-8-6-16(7-9-28)24(30)31-2/h3-5,10-11,16,18H,6-9,12-14H2,1-2H3
InChIKeyHUCHMGKIQKXEOB-UHFFFAOYSA-N
XLogP5.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.40
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methyl]piperidine-4-carboxylate 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

methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]azetidine-3-carboxylate
CID 166534514
methyl 1-[[2,6-dimethyl-4-(1-phenylazetidin-3-yl)phenyl]methyl]piperidine-4-carboxylate
CID 166534524
methyl 1-[[2-cyclopropyl-4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]piperidine-4-carboxylate
CID 166534542
1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-4-methylpiperidine
CID 167246756
methyl 1-[[5-[1-(2,6-dichlorophenyl)azetidin-3-yl]-4-methyl-2-pyridinyl]methyl]piperidine-4-carboxylate
CID 166534874
methyl 1-[[6-[1-(2,6-dichlorophenyl)azetidin-3-yl]-5-methyl-3-pyridinyl]methyl]piperidine-4-carboxylate
CID 166534897
methyl 1-[[5-[1-(2,6-dichlorophenyl)azetidin-3-yl]-4,6-dimethyl-2-pyridinyl]methyl]piperidine-4-carboxylate
CID 166534649
methyl 1-[[6-[1-(2,6-dichlorophenyl)azetidin-3-yl]-4-methyl-3-pyridinyl]methyl]piperidine-4-carboxylate
CID 166534572
1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 171807760
[4-[1-(2-chloro-6-methylphenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methanol
CID 170736567
methyl 1-[(2,6-dimethylphenyl)methyl]piperidine-4-carboxylate
CID 78997161
methyl 1-[[4-[3-(2,6-dichlorophenyl)azetidin-1-yl]-3-fluorophenyl]methyl]piperidine-4-carboxylate
CID 166534584

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methyl]piperidine-4-carboxylate (CID 166534841) is methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methyl]piperidine-4-carboxylate is COC(=O)C1CCN(Cc2c(C)cc(C3CN(c4c(Cl)cccc4Cl)C3)cc2F)CC1.
What is the InChIKey of methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methyl]piperidine-4-carboxylate?
The InChIKey is HUCHMGKIQKXEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2FN2O2/c1-15-10-17(18-12-29(13-18)23-20(25)4-3-5-21(23)26)11-22(27)19(15)14-28-8-6-16(7-9-28)24(30)31-2/h3-5,10-11,16,18H,6-9,12-14H2,1-2H3.
What are the key properties of methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methyl]piperidine-4-carboxylate?
methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methyl]piperidine-4-carboxylate has a molecular weight of 465.40 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 166534841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).