ethane;1-(3-methoxy-4-methylphenyl)piperazine

C14H24N2O — CID 144693036

IUPACethane;1-(3-methoxy-4-methylphenyl)piperazine
SMILESCC.COc1cc(N2CCNCC2)ccc1C
InChIInChI=1S/C12H18N2O.C2H6/c1-10-3-4-11(9-12(10)15-2)14-7-5-13-6-8-14;1-2/h3-4,9,13H,5-8H2,1-2H3;1-2H3
InChIKeyOJDVEEDSMCACDH-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.44
Rot. Bonds2

About ethane;1-(3-methoxy-4-methylphenyl)piperazine

ethane;1-(3-methoxy-4-methylphenyl)piperazine (PubChem CID 144693036) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is ethane;1-(3-methoxy-4-methylphenyl)piperazine.

Molecular Properties

Compound Nameethane;1-(3-methoxy-4-methylphenyl)piperazine
PubChem CID144693036
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Nameethane;1-(3-methoxy-4-methylphenyl)piperazine
SMILESCC.COc1cc(N2CCNCC2)ccc1C
InChIInChI=1S/C12H18N2O.C2H6/c1-10-3-4-11(9-12(10)15-2)14-7-5-13-6-8-14;1-2/h3-4,9,13H,5-8H2,1-2H3;1-2H3
InChIKeyOJDVEEDSMCACDH-UHFFFAOYSA-N
XLogP2.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methoxy-4-methylphenyl)piperazine?
The IUPAC name of ethane;1-(3-methoxy-4-methylphenyl)piperazine (CID 144693036) is ethane;1-(3-methoxy-4-methylphenyl)piperazine.
What is the SMILES notation for ethane;1-(3-methoxy-4-methylphenyl)piperazine?
The canonical SMILES for ethane;1-(3-methoxy-4-methylphenyl)piperazine is CC.COc1cc(N2CCNCC2)ccc1C.
What is the InChIKey of ethane;1-(3-methoxy-4-methylphenyl)piperazine?
The InChIKey is OJDVEEDSMCACDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.C2H6/c1-10-3-4-11(9-12(10)15-2)14-7-5-13-6-8-14;1-2/h3-4,9,13H,5-8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(3-methoxy-4-methylphenyl)piperazine?
ethane;1-(3-methoxy-4-methylphenyl)piperazine has a molecular weight of 236.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methoxy-4-methylphenyl)piperazine is sourced from PubChem (CID 144693036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).