2-butan-2-yl-1-(3-methoxypropyl)-5-phenylpiperazine

C18H30N2O — CID 64876502

IUPAC2-butan-2-yl-1-(3-methoxypropyl)-5-phenylpiperazine
SMILESCCC(C)C1CNC(c2ccccc2)CN1CCCOC
InChIInChI=1S/C18H30N2O/c1-4-15(2)18-13-19-17(16-9-6-5-7-10-16)14-20(18)11-8-12-21-3/h5-7,9-10,15,17-19H,4,8,11-14H2,1-3H3
InChIKeySISBJHNWIIUQND-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.08
Rot. Bonds7

About 2-butan-2-yl-1-(3-methoxypropyl)-5-phenylpiperazine

2-butan-2-yl-1-(3-methoxypropyl)-5-phenylpiperazine (PubChem CID 64876502) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-butan-2-yl-1-(3-methoxypropyl)-5-phenylpiperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-(3-methoxypropyl)-5-phenylpiperazine
PubChem CID64876502
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-butan-2-yl-1-(3-methoxypropyl)-5-phenylpiperazine
SMILESCCC(C)C1CNC(c2ccccc2)CN1CCCOC
InChIInChI=1S/C18H30N2O/c1-4-15(2)18-13-19-17(16-9-6-5-7-10-16)14-20(18)11-8-12-21-3/h5-7,9-10,15,17-19H,4,8,11-14H2,1-3H3
InChIKeySISBJHNWIIUQND-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-butan-2-yl-1-(3-methoxypropyl)-5-phenylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-(3-methoxypropyl)-5-phenylpiperazine?
The IUPAC name of 2-butan-2-yl-1-(3-methoxypropyl)-5-phenylpiperazine (CID 64876502) is 2-butan-2-yl-1-(3-methoxypropyl)-5-phenylpiperazine.
What is the SMILES notation for 2-butan-2-yl-1-(3-methoxypropyl)-5-phenylpiperazine?
The canonical SMILES for 2-butan-2-yl-1-(3-methoxypropyl)-5-phenylpiperazine is CCC(C)C1CNC(c2ccccc2)CN1CCCOC.
What is the InChIKey of 2-butan-2-yl-1-(3-methoxypropyl)-5-phenylpiperazine?
The InChIKey is SISBJHNWIIUQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-15(2)18-13-19-17(16-9-6-5-7-10-16)14-20(18)11-8-12-21-3/h5-7,9-10,15,17-19H,4,8,11-14H2,1-3H3.
What are the key properties of 2-butan-2-yl-1-(3-methoxypropyl)-5-phenylpiperazine?
2-butan-2-yl-1-(3-methoxypropyl)-5-phenylpiperazine has a molecular weight of 290.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-(3-methoxypropyl)-5-phenylpiperazine is sourced from PubChem (CID 64876502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).