1-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]piperazine

C14H21ClN2O — CID 82305365

IUPAC1-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]piperazine
SMILESCCOc1cc(C)c(CN2CCNCC2)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-3-18-14-8-11(2)12(9-13(14)15)10-17-6-4-16-5-7-17/h8-9,16H,3-7,10H2,1-2H3
InChIKeyJLNLKYITKPKYHN-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.45
Rot. Bonds4

About 1-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]piperazine

1-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]piperazine (PubChem CID 82305365) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]piperazine
PubChem CID82305365
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]piperazine
SMILESCCOc1cc(C)c(CN2CCNCC2)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-3-18-14-8-11(2)12(9-13(14)15)10-17-6-4-16-5-7-17/h8-9,16H,3-7,10H2,1-2H3
InChIKeyJLNLKYITKPKYHN-UHFFFAOYSA-N
XLogP2.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]piperazine 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

1-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,4-diazepane
CID 82305364
1-[(4-butoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperazine
CID 82552698
1-[(2-ethoxy-5-methylphenyl)methyl]piperazine
CID 82263437
1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine
CID 94693693
1-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)ethyl]piperazine
CID 82266066
1-[(2-chloro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 117390256
1-[(3-chloro-2-ethoxyphenyl)methyl]piperazine
CID 120833653
1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine
CID 82265314
1-[(2-ethoxy-3,4-dimethylphenyl)methyl]piperazine
CID 117374509
1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine
CID 95472670
2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone
CID 82134628
5-chloro-4-ethoxy-2-methylphenol
CID 82490779

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]piperazine (CID 82305365) is 1-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]piperazine is CCOc1cc(C)c(CN2CCNCC2)cc1Cl.
What is the InChIKey of 1-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]piperazine?
The InChIKey is JLNLKYITKPKYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-18-14-8-11(2)12(9-13(14)15)10-17-6-4-16-5-7-17/h8-9,16H,3-7,10H2,1-2H3.
What are the key properties of 1-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]piperazine?
1-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]piperazine has a molecular weight of 268.79 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]piperazine is sourced from PubChem (CID 82305365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).