1-(2-methoxyethyl)-4-(7-methylnon-3-en-5-yl)piperazine

C17H34N2O — CID 123161158

IUPAC1-(2-methoxyethyl)-4-(7-methylnon-3-en-5-yl)piperazine
SMILESCCC=CC(CC(C)CC)N1CCN(CCOC)CC1
InChIInChI=1S/C17H34N2O/c1-5-7-8-17(15-16(3)6-2)19-11-9-18(10-12-19)13-14-20-4/h7-8,16-17H,5-6,9-15H2,1-4H3
InChIKeyFYARSXBPBHURNP-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.02
Rot. Bonds9

About 1-(2-methoxyethyl)-4-(7-methylnon-3-en-5-yl)piperazine

1-(2-methoxyethyl)-4-(7-methylnon-3-en-5-yl)piperazine (PubChem CID 123161158) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-(7-methylnon-3-en-5-yl)piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-(7-methylnon-3-en-5-yl)piperazine
PubChem CID123161158
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-(2-methoxyethyl)-4-(7-methylnon-3-en-5-yl)piperazine
SMILESCCC=CC(CC(C)CC)N1CCN(CCOC)CC1
InChIInChI=1S/C17H34N2O/c1-5-7-8-17(15-16(3)6-2)19-11-9-18(10-12-19)13-14-20-4/h7-8,16-17H,5-6,9-15H2,1-4H3
InChIKeyFYARSXBPBHURNP-UHFFFAOYSA-N
XLogP3.02
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-(7-methylnon-3-en-5-yl)piperazine?
The IUPAC name of 1-(2-methoxyethyl)-4-(7-methylnon-3-en-5-yl)piperazine (CID 123161158) is 1-(2-methoxyethyl)-4-(7-methylnon-3-en-5-yl)piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-(7-methylnon-3-en-5-yl)piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-4-(7-methylnon-3-en-5-yl)piperazine is CCC=CC(CC(C)CC)N1CCN(CCOC)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-(7-methylnon-3-en-5-yl)piperazine?
The InChIKey is FYARSXBPBHURNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-7-8-17(15-16(3)6-2)19-11-9-18(10-12-19)13-14-20-4/h7-8,16-17H,5-6,9-15H2,1-4H3.
What are the key properties of 1-(2-methoxyethyl)-4-(7-methylnon-3-en-5-yl)piperazine?
1-(2-methoxyethyl)-4-(7-methylnon-3-en-5-yl)piperazine has a molecular weight of 282.47 g/mol, XLogP of 3.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-(7-methylnon-3-en-5-yl)piperazine is sourced from PubChem (CID 123161158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).