1-(4-methoxybutyl)-2,5-dimethyl-2-phenylpiperazine

C17H28N2O — CID 104650161

IUPAC1-(4-methoxybutyl)-2,5-dimethyl-2-phenylpiperazine
SMILESCOCCCCN1CC(C)NCC1(C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-15-13-19(11-7-8-12-20-3)17(2,14-18-15)16-9-5-4-6-10-16/h4-6,9-10,15,18H,7-8,11-14H2,1-3H3
InChIKeySMKZBYYCXWVYON-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.62
Rot. Bonds6

About 1-(4-methoxybutyl)-2,5-dimethyl-2-phenylpiperazine

1-(4-methoxybutyl)-2,5-dimethyl-2-phenylpiperazine (PubChem CID 104650161) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(4-methoxybutyl)-2,5-dimethyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-(4-methoxybutyl)-2,5-dimethyl-2-phenylpiperazine
PubChem CID104650161
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(4-methoxybutyl)-2,5-dimethyl-2-phenylpiperazine
SMILESCOCCCCN1CC(C)NCC1(C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-15-13-19(11-7-8-12-20-3)17(2,14-18-15)16-9-5-4-6-10-16/h4-6,9-10,15,18H,7-8,11-14H2,1-3H3
InChIKeySMKZBYYCXWVYON-UHFFFAOYSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
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 1-(4-methoxybutyl)-2,5-dimethyl-2-phenylpiperazine?
The IUPAC name of 1-(4-methoxybutyl)-2,5-dimethyl-2-phenylpiperazine (CID 104650161) is 1-(4-methoxybutyl)-2,5-dimethyl-2-phenylpiperazine.
What is the SMILES notation for 1-(4-methoxybutyl)-2,5-dimethyl-2-phenylpiperazine?
The canonical SMILES for 1-(4-methoxybutyl)-2,5-dimethyl-2-phenylpiperazine is COCCCCN1CC(C)NCC1(C)c1ccccc1.
What is the InChIKey of 1-(4-methoxybutyl)-2,5-dimethyl-2-phenylpiperazine?
The InChIKey is SMKZBYYCXWVYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-15-13-19(11-7-8-12-20-3)17(2,14-18-15)16-9-5-4-6-10-16/h4-6,9-10,15,18H,7-8,11-14H2,1-3H3.
What are the key properties of 1-(4-methoxybutyl)-2,5-dimethyl-2-phenylpiperazine?
1-(4-methoxybutyl)-2,5-dimethyl-2-phenylpiperazine has a molecular weight of 276.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutyl)-2,5-dimethyl-2-phenylpiperazine is sourced from PubChem (CID 104650161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).