methyl 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazine-1-carboxylate

C20H23ClN2O2 — CID 134799821

IUPACmethyl 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(Cc2ccccc2-c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C20H23ClN2O2/c1-15-7-8-16(13-19(15)21)18-6-4-3-5-17(18)14-22-9-11-23(12-10-22)20(24)25-2/h3-8,13H,9-12,14H2,1-2H3
InChIKeyUNXZSGUCHGVBNX-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.20
Rot. Bonds3

About methyl 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazine-1-carboxylate

methyl 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazine-1-carboxylate (PubChem CID 134799821) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is methyl 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazine-1-carboxylate
PubChem CID134799821
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Namemethyl 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(Cc2ccccc2-c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C20H23ClN2O2/c1-15-7-8-16(13-19(15)21)18-6-4-3-5-17(18)14-22-9-11-23(12-10-22)20(24)25-2/h3-8,13H,9-12,14H2,1-2H3
InChIKeyUNXZSGUCHGVBNX-UHFFFAOYSA-N
XLogP4.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazine-1-carboxylate with MolForge

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Related Compounds

1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[bis(4-chloro-2-methylphenyl)methyl]piperazine-1-carboxylate
CID 71656797
Ethyl 4-(2-chlorobenzyl)-1-piperazinecarboxylate
CID 782725
Ethyl 4-(3-chlorobenzyl)-1-piperazinecarboxylate
CID 783157
Methyl 4-(2-chlorobenzyl)piperazine-1-carboxylate
CID 25236171
4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpiperazine-1-carboxamide
CID 134798200
4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 134799550
[1-[[2-(3-Chloro-4-methylphenyl)phenyl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 134799690
methyl N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]carbamate
CID 134802847
ethyl N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]carbamate
CID 134803408
Methyl 4-[(3-chloro-2-fluorophenyl)methyl]piperazine-1-carboxylate
CID 60170299
1-[4-[[2-(3-Chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]-2-methoxyethanone
CID 134795867
1-[4-[[2-(3-Chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 134796599

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazine-1-carboxylate (CID 134799821) is methyl 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazine-1-carboxylate is COC(=O)N1CCN(Cc2ccccc2-c2ccc(C)c(Cl)c2)CC1.
What is the InChIKey of methyl 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazine-1-carboxylate?
The InChIKey is UNXZSGUCHGVBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-15-7-8-16(13-19(15)21)18-6-4-3-5-17(18)14-22-9-11-23(12-10-22)20(24)25-2/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of methyl 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazine-1-carboxylate?
methyl 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazine-1-carboxylate has a molecular weight of 358.87 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 134799821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).