1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-4-methylpiperazine

C20H25ClN2O — CID 71602094

IUPAC1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-4-methylpiperazine
SMILESCc1cc(Oc2cccc(CN3CCN(C)CC3)c2)cc(C)c1Cl
InChIInChI=1S/C20H25ClN2O/c1-15-11-19(12-16(2)20(15)21)24-18-6-4-5-17(13-18)14-23-9-7-22(3)8-10-23/h4-6,11-13H,7-10,14H2,1-3H3
InChIKeyCRMXWCDKVVYZIZ-UHFFFAOYSA-N
MW344.89 g/mol
LogP4.50
Rot. Bonds4

About 1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-4-methylpiperazine

1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-4-methylpiperazine (PubChem CID 71602094) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-4-methylpiperazine
PubChem CID71602094
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-4-methylpiperazine
SMILESCc1cc(Oc2cccc(CN3CCN(C)CC3)c2)cc(C)c1Cl
InChIInChI=1S/C20H25ClN2O/c1-15-11-19(12-16(2)20(15)21)24-18-6-4-5-17(13-18)14-23-9-7-22(3)8-10-23/h4-6,11-13H,7-10,14H2,1-3H3
InChIKeyCRMXWCDKVVYZIZ-UHFFFAOYSA-N
XLogP4.50
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-4-methylpiperazine 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

2-Chloro-11-(4-methylpiperazino)dibenz[b,f]oxepin
CID 32224
1-(2-Chlorodibenzo[b,f]oxepin-10-yl)-4-methylpiperazine
CID 12765116
1-Benzyl-4-(3-methoxybenzyl)piperazine
CID 763622
N-(4-chlorobenzyl)-2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)-1-ethanamine
CID 3820943
1-(3-Phenoxybenzyl)piperidine
CID 783490
1-Methyl-4-(3-phenoxybenzyl)piperazine
CID 792665
1-[[4-Chloro-3-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidine
CID 134155651
2-{4-[3-(4-Chlorophenoxy)benzyl]-1-piperazinyl}ethanol
CID 779240
1-[3-(4-Chlorophenoxy)benzyl]-4-methylpiperazine
CID 792603
1-[[3-(4-Chlorophenoxy)phenyl]methyl]-4-ethylpiperazine
CID 792664
4-((4-benzylpiperazin-1-yl)methyl)-6-chloro-7-methyl-2H-chromen-2-one
CID 2090441
Ethyl 1-[3-(4-chlorophenoxy)benzyl]-4-piperidinecarboxylate
CID 2838159

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-4-methylpiperazine (CID 71602094) is 1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-4-methylpiperazine is Cc1cc(Oc2cccc(CN3CCN(C)CC3)c2)cc(C)c1Cl.
What is the InChIKey of 1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-4-methylpiperazine?
The InChIKey is CRMXWCDKVVYZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O/c1-15-11-19(12-16(2)20(15)21)24-18-6-4-5-17(13-18)14-23-9-7-22(3)8-10-23/h4-6,11-13H,7-10,14H2,1-3H3.
What are the key properties of 1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-4-methylpiperazine?
1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-4-methylpiperazine has a molecular weight of 344.89 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-4-methylpiperazine is sourced from PubChem (CID 71602094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).