1-[[2,3-dimethyl-4-(2-methylpropoxy)phenyl]methyl]piperazine

C17H28N2O — CID 82552503

IUPAC1-[[2,3-dimethyl-4-(2-methylpropoxy)phenyl]methyl]piperazine
SMILESCc1c(CN2CCNCC2)ccc(OCC(C)C)c1C
InChIInChI=1S/C17H28N2O/c1-13(2)12-20-17-6-5-16(14(3)15(17)4)11-19-9-7-18-8-10-19/h5-6,13,18H,7-12H2,1-4H3
InChIKeyMQMSZQBYGMXDKI-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.74
Rot. Bonds5

About 1-[[2,3-dimethyl-4-(2-methylpropoxy)phenyl]methyl]piperazine

1-[[2,3-dimethyl-4-(2-methylpropoxy)phenyl]methyl]piperazine (PubChem CID 82552503) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[[2,3-dimethyl-4-(2-methylpropoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2,3-dimethyl-4-(2-methylpropoxy)phenyl]methyl]piperazine
PubChem CID82552503
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[[2,3-dimethyl-4-(2-methylpropoxy)phenyl]methyl]piperazine
SMILESCc1c(CN2CCNCC2)ccc(OCC(C)C)c1C
InChIInChI=1S/C17H28N2O/c1-13(2)12-20-17-6-5-16(14(3)15(17)4)11-19-9-7-18-8-10-19/h5-6,13,18H,7-12H2,1-4H3
InChIKeyMQMSZQBYGMXDKI-UHFFFAOYSA-N
XLogP2.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(2-methylpropoxy)-5-(2-piperazin-1-ylethyl)quinoline
CID 96709857
1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine
CID 59161326
1-[(2-ethoxy-3,4-dimethylphenyl)methyl]piperazine
CID 117374509
1-[(3-methoxy-2-methylphenyl)methyl]piperazine
CID 83707267
1-[(2-ethoxy-5-methylphenyl)methyl]piperazine
CID 82263437
1-[(3-bromo-4-fluoro-2-methylphenyl)methyl]piperazine
CID 84814024
1-[(2,3-dimethyl-5-propan-2-ylphenyl)methyl]piperazine
CID 117368977
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
1-[2-[4-(2-methylpropoxy)phenyl]ethyl]piperazine
CID 82263292
1-[(4-butoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperazine
CID 82552698
1-[(2-methyl-3,4-diphenylphenyl)methyl]piperazine
CID 67427355
1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine
CID 84700768

Frequently Asked Questions

What is the IUPAC name of 1-[[2,3-dimethyl-4-(2-methylpropoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[[2,3-dimethyl-4-(2-methylpropoxy)phenyl]methyl]piperazine (CID 82552503) is 1-[[2,3-dimethyl-4-(2-methylpropoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[2,3-dimethyl-4-(2-methylpropoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[2,3-dimethyl-4-(2-methylpropoxy)phenyl]methyl]piperazine is Cc1c(CN2CCNCC2)ccc(OCC(C)C)c1C.
What is the InChIKey of 1-[[2,3-dimethyl-4-(2-methylpropoxy)phenyl]methyl]piperazine?
The InChIKey is MQMSZQBYGMXDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)12-20-17-6-5-16(14(3)15(17)4)11-19-9-7-18-8-10-19/h5-6,13,18H,7-12H2,1-4H3.
What are the key properties of 1-[[2,3-dimethyl-4-(2-methylpropoxy)phenyl]methyl]piperazine?
1-[[2,3-dimethyl-4-(2-methylpropoxy)phenyl]methyl]piperazine has a molecular weight of 276.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,3-dimethyl-4-(2-methylpropoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 82552503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).