1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine

C20H25ClN2O2 — CID 1126217

IUPAC1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine
SMILESCOc1cccc(CN2CCN(Cc3ccccc3Cl)CC2)c1OC
InChIInChI=1S/C20H25ClN2O2/c1-24-19-9-5-7-17(20(19)25-2)15-23-12-10-22(11-13-23)14-16-6-3-4-8-18(16)21/h3-9H,10-15H2,1-2H3
InChIKeyJTFYIPUNWXDDAA-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.67
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine

1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine (PubChem CID 1126217) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine
PubChem CID1126217
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine
SMILESCOc1cccc(CN2CCN(Cc3ccccc3Cl)CC2)c1OC
InChIInChI=1S/C20H25ClN2O2/c1-24-19-9-5-7-17(20(19)25-2)15-23-12-10-22(11-13-23)14-16-6-3-4-8-18(16)21/h3-9H,10-15H2,1-2H3
InChIKeyJTFYIPUNWXDDAA-UHFFFAOYSA-N
XLogP3.67
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine with MolForge

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Related Compounds

1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine;oxalic acid
CID 17367093
1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 770198
2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol
CID 2223715
N-[(2-chlorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 17292043
1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 17366969
1-[(2-chlorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 126476486
1-[2-(2-chlorophenoxy)ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 2948911
1-[(2,3-dimethoxyphenyl)methyl]-4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazine
CID 97159129
1-benzhydryl-4-[(2,3-dimethoxyphenyl)methyl]piperazine;oxalic acid
CID 163328266
1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1126216
1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 9127805
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine
CID 3362451

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine (CID 1126217) is 1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine is COc1cccc(CN2CCN(Cc3ccccc3Cl)CC2)c1OC.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine?
The InChIKey is JTFYIPUNWXDDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-24-19-9-5-7-17(20(19)25-2)15-23-12-10-22(11-13-23)14-16-6-3-4-8-18(16)21/h3-9H,10-15H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine?
1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine has a molecular weight of 360.89 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 1126217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).