1-(2-methoxy-5-methylphenyl)-4-methylpiperazine

C13H20N2O — CID 20811370

IUPAC1-(2-methoxy-5-methylphenyl)-4-methylpiperazine
SMILESCOc1ccc(C)cc1N1CCN(C)CC1
InChIInChI=1S/C13H20N2O/c1-11-4-5-13(16-3)12(10-11)15-8-6-14(2)7-9-15/h4-5,10H,6-9H2,1-3H3
InChIKeyCRIULUCYUSFXAD-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.76
Rot. Bonds2

About 1-(2-methoxy-5-methylphenyl)-4-methylpiperazine

1-(2-methoxy-5-methylphenyl)-4-methylpiperazine (PubChem CID 20811370) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-4-methylpiperazine
PubChem CID20811370
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(2-methoxy-5-methylphenyl)-4-methylpiperazine
SMILESCOc1ccc(C)cc1N1CCN(C)CC1
InChIInChI=1S/C13H20N2O/c1-11-4-5-13(16-3)12(10-11)15-8-6-14(2)7-9-15/h4-5,10H,6-9H2,1-3H3
InChIKeyCRIULUCYUSFXAD-UHFFFAOYSA-N
XLogP1.76
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 18180115
1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 53358105
4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111363
4-(aminomethyl)-1-(2-methoxy-5-methylphenyl)piperidin-4-ol
CID 82297536
1-(2-methoxy-5-methylphenyl)-4-methylpiperidine-4-carboxylic acid
CID 117011695
4-(2-methoxy-5-methylphenyl)piperazine-2,6-dione
CID 55236738
1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole
CID 39243590
(2-chlorophenyl)-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]methanone
CID 113077542
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
3-(difluoromethyl)-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-6-methylindole
CID 122520138
4-methoxy-3-(4-methylpiperazin-1-yl)-N-propoxyaniline
CID 175052036
1-(2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine
CID 43315083

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-4-methylpiperazine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-4-methylpiperazine (CID 20811370) is 1-(2-methoxy-5-methylphenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-4-methylpiperazine is COc1ccc(C)cc1N1CCN(C)CC1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-4-methylpiperazine?
The InChIKey is CRIULUCYUSFXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-4-5-13(16-3)12(10-11)15-8-6-14(2)7-9-15/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-4-methylpiperazine?
1-(2-methoxy-5-methylphenyl)-4-methylpiperazine has a molecular weight of 220.32 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-4-methylpiperazine is sourced from PubChem (CID 20811370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).