ethane;1-(2-methoxy-4-methylphenyl)-2-methylpiperazine

C15H26N2O — CID 155709453

IUPACethane;1-(2-methoxy-4-methylphenyl)-2-methylpiperazine
SMILESCC.COc1cc(C)ccc1N1CCNCC1C
InChIInChI=1S/C13H20N2O.C2H6/c1-10-4-5-12(13(8-10)16-3)15-7-6-14-9-11(15)2;1-2/h4-5,8,11,14H,6-7,9H2,1-3H3;1-2H3
InChIKeyGXSKNNFMOXAZLM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.83
Rot. Bonds2

About ethane;1-(2-methoxy-4-methylphenyl)-2-methylpiperazine

ethane;1-(2-methoxy-4-methylphenyl)-2-methylpiperazine (PubChem CID 155709453) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is ethane;1-(2-methoxy-4-methylphenyl)-2-methylpiperazine.

Molecular Properties

Compound Nameethane;1-(2-methoxy-4-methylphenyl)-2-methylpiperazine
PubChem CID155709453
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Nameethane;1-(2-methoxy-4-methylphenyl)-2-methylpiperazine
SMILESCC.COc1cc(C)ccc1N1CCNCC1C
InChIInChI=1S/C13H20N2O.C2H6/c1-10-4-5-12(13(8-10)16-3)15-7-6-14-9-11(15)2;1-2/h4-5,8,11,14H,6-7,9H2,1-3H3;1-2H3
InChIKeyGXSKNNFMOXAZLM-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methoxy-4-methylphenyl)-2-methylpiperazine?
The IUPAC name of ethane;1-(2-methoxy-4-methylphenyl)-2-methylpiperazine (CID 155709453) is ethane;1-(2-methoxy-4-methylphenyl)-2-methylpiperazine.
What is the SMILES notation for ethane;1-(2-methoxy-4-methylphenyl)-2-methylpiperazine?
The canonical SMILES for ethane;1-(2-methoxy-4-methylphenyl)-2-methylpiperazine is CC.COc1cc(C)ccc1N1CCNCC1C.
What is the InChIKey of ethane;1-(2-methoxy-4-methylphenyl)-2-methylpiperazine?
The InChIKey is GXSKNNFMOXAZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.C2H6/c1-10-4-5-12(13(8-10)16-3)15-7-6-14-9-11(15)2;1-2/h4-5,8,11,14H,6-7,9H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(2-methoxy-4-methylphenyl)-2-methylpiperazine?
ethane;1-(2-methoxy-4-methylphenyl)-2-methylpiperazine has a molecular weight of 250.39 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methoxy-4-methylphenyl)-2-methylpiperazine is sourced from PubChem (CID 155709453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).