1-(2-methoxy-5-methylphenyl)-3-(2-methylpropyl)piperazine

C16H26N2O — CID 64923992

IUPAC1-(2-methoxy-5-methylphenyl)-3-(2-methylpropyl)piperazine
SMILESCOc1ccc(C)cc1N1CCNC(CC(C)C)C1
InChIInChI=1S/C16H26N2O/c1-12(2)9-14-11-18(8-7-17-14)15-10-13(3)5-6-16(15)19-4/h5-6,10,12,14,17H,7-9,11H2,1-4H3
InChIKeyYAKZOPMSBRTNJI-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.83
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-3-(2-methylpropyl)piperazine

1-(2-methoxy-5-methylphenyl)-3-(2-methylpropyl)piperazine (PubChem CID 64923992) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-(2-methylpropyl)piperazine
PubChem CID64923992
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-(2-methylpropyl)piperazine
SMILESCOc1ccc(C)cc1N1CCNC(CC(C)C)C1
InChIInChI=1S/C16H26N2O/c1-12(2)9-14-11-18(8-7-17-14)15-10-13(3)5-6-16(15)19-4/h5-6,10,12,14,17H,7-9,11H2,1-4H3
InChIKeyYAKZOPMSBRTNJI-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(2-methylpropyl)piperazine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(2-methylpropyl)piperazine (CID 64923992) is 1-(2-methoxy-5-methylphenyl)-3-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-(2-methylpropyl)piperazine is COc1ccc(C)cc1N1CCNC(CC(C)C)C1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-(2-methylpropyl)piperazine?
The InChIKey is YAKZOPMSBRTNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)9-14-11-18(8-7-17-14)15-10-13(3)5-6-16(15)19-4/h5-6,10,12,14,17H,7-9,11H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-(2-methylpropyl)piperazine?
1-(2-methoxy-5-methylphenyl)-3-(2-methylpropyl)piperazine has a molecular weight of 262.40 g/mol, XLogP of 2.83, 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-(2-methylpropyl)piperazine is sourced from PubChem (CID 64923992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).