5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine

C15H23FN2 — CID 64953705

IUPAC5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine
SMILESCCC(C)C1CN(c2ccccc2F)C(C)CN1
InChIInChI=1S/C15H23FN2/c1-4-11(2)14-10-18(12(3)9-17-14)15-8-6-5-7-13(15)16/h5-8,11-12,14,17H,4,9-10H2,1-3H3
InChIKeyRWMKHAQWYWXDCA-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.04
Rot. Bonds3

About 5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine

5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine (PubChem CID 64953705) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine
PubChem CID64953705
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine
SMILESCCC(C)C1CN(c2ccccc2F)C(C)CN1
InChIInChI=1S/C15H23FN2/c1-4-11(2)14-10-18(12(3)9-17-14)15-8-6-5-7-13(15)16/h5-8,11-12,14,17H,4,9-10H2,1-3H3
InChIKeyRWMKHAQWYWXDCA-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine 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 5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine (CID 64953705) is 5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine is CCC(C)C1CN(c2ccccc2F)C(C)CN1.
What is the InChIKey of 5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine?
The InChIKey is RWMKHAQWYWXDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-4-11(2)14-10-18(12(3)9-17-14)15-8-6-5-7-13(15)16/h5-8,11-12,14,17H,4,9-10H2,1-3H3.
What are the key properties of 5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine?
5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine has a molecular weight of 250.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine is sourced from PubChem (CID 64953705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).