1-(4-methoxyphenyl)-2-methyl-4-pentan-3-ylpiperazine

C17H28N2O — CID 20735315

IUPAC1-(4-methoxyphenyl)-2-methyl-4-pentan-3-ylpiperazine
SMILESCCC(CC)N1CCN(c2ccc(OC)cc2)C(C)C1
InChIInChI=1S/C17H28N2O/c1-5-15(6-2)18-11-12-19(14(3)13-18)16-7-9-17(20-4)10-8-16/h7-10,14-15H,5-6,11-13H2,1-4H3
InChIKeyBECQOFTVWGGJGB-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.39
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-methyl-4-pentan-3-ylpiperazine

1-(4-methoxyphenyl)-2-methyl-4-pentan-3-ylpiperazine (PubChem CID 20735315) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-methyl-4-pentan-3-ylpiperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-methyl-4-pentan-3-ylpiperazine
PubChem CID20735315
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(4-methoxyphenyl)-2-methyl-4-pentan-3-ylpiperazine
SMILESCCC(CC)N1CCN(c2ccc(OC)cc2)C(C)C1
InChIInChI=1S/C17H28N2O/c1-5-15(6-2)18-11-12-19(14(3)13-18)16-7-9-17(20-4)10-8-16/h7-10,14-15H,5-6,11-13H2,1-4H3
InChIKeyBECQOFTVWGGJGB-UHFFFAOYSA-N
XLogP3.39
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-methyl-4-pentan-3-ylpiperazine?
The IUPAC name of 1-(4-methoxyphenyl)-2-methyl-4-pentan-3-ylpiperazine (CID 20735315) is 1-(4-methoxyphenyl)-2-methyl-4-pentan-3-ylpiperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-methyl-4-pentan-3-ylpiperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-methyl-4-pentan-3-ylpiperazine is CCC(CC)N1CCN(c2ccc(OC)cc2)C(C)C1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-methyl-4-pentan-3-ylpiperazine?
The InChIKey is BECQOFTVWGGJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-15(6-2)18-11-12-19(14(3)13-18)16-7-9-17(20-4)10-8-16/h7-10,14-15H,5-6,11-13H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-2-methyl-4-pentan-3-ylpiperazine?
1-(4-methoxyphenyl)-2-methyl-4-pentan-3-ylpiperazine has a molecular weight of 276.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-methyl-4-pentan-3-ylpiperazine is sourced from PubChem (CID 20735315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).