1-(2-methoxy-5-methylphenyl)-3-propylpiperazine

C15H24N2O — CID 64923794

IUPAC1-(2-methoxy-5-methylphenyl)-3-propylpiperazine
SMILESCCCC1CN(c2cc(C)ccc2OC)CCN1
InChIInChI=1S/C15H24N2O/c1-4-5-13-11-17(9-8-16-13)14-10-12(2)6-7-15(14)18-3/h6-7,10,13,16H,4-5,8-9,11H2,1-3H3
InChIKeyISABTINBXWXYQQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.58
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-3-propylpiperazine

1-(2-methoxy-5-methylphenyl)-3-propylpiperazine (PubChem CID 64923794) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-propylpiperazine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-propylpiperazine
PubChem CID64923794
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-propylpiperazine
SMILESCCCC1CN(c2cc(C)ccc2OC)CCN1
InChIInChI=1S/C15H24N2O/c1-4-5-13-11-17(9-8-16-13)14-10-12(2)6-7-15(14)18-3/h6-7,10,13,16H,4-5,8-9,11H2,1-3H3
InChIKeyISABTINBXWXYQQ-UHFFFAOYSA-N
XLogP2.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-(2-methylpropyl)piperazine
CID 64923992
1-(5-chloro-2,4-dimethoxyphenyl)-3-propylpiperazine
CID 64924290
1-(5-bromo-2-methoxyphenyl)-3-propyl-1,4-diazepane
CID 64945407
2-ethyl-1-(2-methoxy-5-methylphenyl)-5-propylpiperazine
CID 64931773
1-(2-bromo-4-methylphenyl)-3-propyl-1,4-diazepane
CID 64944752
1-(4-fluoro-2-methoxyphenyl)-3-propyl-1,4-diazepane
CID 64942694
1-[2-(methoxymethyl)phenyl]-3-propylpiperazine
CID 64925936
1-(2,4-difluorophenyl)-3-propylpiperazine
CID 64925789
3-ethyl-1-(4-methoxy-3-methylphenyl)piperazine
CID 64926350
1-(4-fluoro-2-iodophenyl)-3-propylpiperazine
CID 79771519
1-[4-bromo-2-(trifluoromethoxy)phenyl]-3-propylpiperazine
CID 103193691
2-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-propylpiperazine
CID 64845190

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-propylpiperazine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-propylpiperazine (CID 64923794) is 1-(2-methoxy-5-methylphenyl)-3-propylpiperazine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-propylpiperazine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-propylpiperazine is CCCC1CN(c2cc(C)ccc2OC)CCN1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-propylpiperazine?
The InChIKey is ISABTINBXWXYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-5-13-11-17(9-8-16-13)14-10-12(2)6-7-15(14)18-3/h6-7,10,13,16H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-propylpiperazine?
1-(2-methoxy-5-methylphenyl)-3-propylpiperazine has a molecular weight of 248.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-propylpiperazine is sourced from PubChem (CID 64923794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).