1-[1-(2-methoxy-3,5-dimethylphenyl)ethyl]piperazine

C15H24N2O — CID 82296707

IUPAC1-[1-(2-methoxy-3,5-dimethylphenyl)ethyl]piperazine
SMILESCOc1c(C)cc(C)cc1C(C)N1CCNCC1
InChIInChI=1S/C15H24N2O/c1-11-9-12(2)15(18-4)14(10-11)13(3)17-7-5-16-6-8-17/h9-10,13,16H,5-8H2,1-4H3
InChIKeyBUIDYTXBPTWUTQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.28
Rot. Bonds3

About 1-[1-(2-methoxy-3,5-dimethylphenyl)ethyl]piperazine

1-[1-(2-methoxy-3,5-dimethylphenyl)ethyl]piperazine (PubChem CID 82296707) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[1-(2-methoxy-3,5-dimethylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[1-(2-methoxy-3,5-dimethylphenyl)ethyl]piperazine
PubChem CID82296707
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[1-(2-methoxy-3,5-dimethylphenyl)ethyl]piperazine
SMILESCOc1c(C)cc(C)cc1C(C)N1CCNCC1
InChIInChI=1S/C15H24N2O/c1-11-9-12(2)15(18-4)14(10-11)13(3)17-7-5-16-6-8-17/h9-10,13,16H,5-8H2,1-4H3
InChIKeyBUIDYTXBPTWUTQ-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-methoxy-3,5-dimethylphenyl)ethyl]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-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine
CID 82498846
1-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 93464451
1-(2-methoxy-3,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3878762
1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)ethyl]piperazine
CID 171296555
1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171295224
1-[1-(2-methoxy-4,5-dimethylphenyl)ethyl]-1,4-diazepane
CID 82302974
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
1-[1-(2,5-dimethylphenyl)ethyl]-1,4-diazepane
CID 3830311
2-fluoro-4-methyl-6-[(1R)-1-piperazin-1-ylethyl]phenol
CID 171300674
4-methyl-2-[(1S)-1-piperazin-1-ylethyl]phenol
CID 93464487
1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine
CID 117411213
5-methoxy-3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171286352

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxy-3,5-dimethylphenyl)ethyl]piperazine?
The IUPAC name of 1-[1-(2-methoxy-3,5-dimethylphenyl)ethyl]piperazine (CID 82296707) is 1-[1-(2-methoxy-3,5-dimethylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[1-(2-methoxy-3,5-dimethylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[1-(2-methoxy-3,5-dimethylphenyl)ethyl]piperazine is COc1c(C)cc(C)cc1C(C)N1CCNCC1.
What is the InChIKey of 1-[1-(2-methoxy-3,5-dimethylphenyl)ethyl]piperazine?
The InChIKey is BUIDYTXBPTWUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-9-12(2)15(18-4)14(10-11)13(3)17-7-5-16-6-8-17/h9-10,13,16H,5-8H2,1-4H3.
What are the key properties of 1-[1-(2-methoxy-3,5-dimethylphenyl)ethyl]piperazine?
1-[1-(2-methoxy-3,5-dimethylphenyl)ethyl]piperazine has a molecular weight of 248.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxy-3,5-dimethylphenyl)ethyl]piperazine is sourced from PubChem (CID 82296707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).