2-(methoxymethyl)-1-methyl-4-(3-methylnonan-3-yl)piperazine

C17H36N2O — CID 139319931

IUPAC2-(methoxymethyl)-1-methyl-4-(3-methylnonan-3-yl)piperazine
SMILESCCCCCCC(C)(CC)N1CCN(C)C(COC)C1
InChIInChI=1S/C17H36N2O/c1-6-8-9-10-11-17(3,7-2)19-13-12-18(4)16(14-19)15-20-5/h16H,6-15H2,1-5H3
InChIKeyOYTJDVUPPCMGTF-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.39
Rot. Bonds9

About 2-(methoxymethyl)-1-methyl-4-(3-methylnonan-3-yl)piperazine

2-(methoxymethyl)-1-methyl-4-(3-methylnonan-3-yl)piperazine (PubChem CID 139319931) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-methyl-4-(3-methylnonan-3-yl)piperazine.

Molecular Properties

Compound Name2-(methoxymethyl)-1-methyl-4-(3-methylnonan-3-yl)piperazine
PubChem CID139319931
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-(methoxymethyl)-1-methyl-4-(3-methylnonan-3-yl)piperazine
SMILESCCCCCCC(C)(CC)N1CCN(C)C(COC)C1
InChIInChI=1S/C17H36N2O/c1-6-8-9-10-11-17(3,7-2)19-13-12-18(4)16(14-19)15-20-5/h16H,6-15H2,1-5H3
InChIKeyOYTJDVUPPCMGTF-UHFFFAOYSA-N
XLogP3.39
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-methyl-4-(3-methylnonan-3-yl)piperazine?
The IUPAC name of 2-(methoxymethyl)-1-methyl-4-(3-methylnonan-3-yl)piperazine (CID 139319931) is 2-(methoxymethyl)-1-methyl-4-(3-methylnonan-3-yl)piperazine.
What is the SMILES notation for 2-(methoxymethyl)-1-methyl-4-(3-methylnonan-3-yl)piperazine?
The canonical SMILES for 2-(methoxymethyl)-1-methyl-4-(3-methylnonan-3-yl)piperazine is CCCCCCC(C)(CC)N1CCN(C)C(COC)C1.
What is the InChIKey of 2-(methoxymethyl)-1-methyl-4-(3-methylnonan-3-yl)piperazine?
The InChIKey is OYTJDVUPPCMGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-6-8-9-10-11-17(3,7-2)19-13-12-18(4)16(14-19)15-20-5/h16H,6-15H2,1-5H3.
What are the key properties of 2-(methoxymethyl)-1-methyl-4-(3-methylnonan-3-yl)piperazine?
2-(methoxymethyl)-1-methyl-4-(3-methylnonan-3-yl)piperazine has a molecular weight of 284.49 g/mol, XLogP of 3.39, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-methyl-4-(3-methylnonan-3-yl)piperazine is sourced from PubChem (CID 139319931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).