1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine

C17H28FN3 — CID 62773806

IUPAC1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine
SMILESCCC(C)N1CCN(C(c2ccccc2F)C(C)N)CC1
InChIInChI=1S/C17H28FN3/c1-4-13(2)20-9-11-21(12-10-20)17(14(3)19)15-7-5-6-8-16(15)18/h5-8,13-14,17H,4,9-12,19H2,1-3H3
InChIKeyXEYLTGQBDWQUIJ-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.63
Rot. Bonds5

About 1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine

1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine (PubChem CID 62773806) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine
PubChem CID62773806
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC Name1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine
SMILESCCC(C)N1CCN(C(c2ccccc2F)C(C)N)CC1
InChIInChI=1S/C17H28FN3/c1-4-13(2)20-9-11-21(12-10-20)17(14(3)19)15-7-5-6-8-16(15)18/h5-8,13-14,17H,4,9-12,19H2,1-3H3
InChIKeyXEYLTGQBDWQUIJ-UHFFFAOYSA-N
XLogP2.63
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine 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 1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine (CID 62773806) is 1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine is CCC(C)N1CCN(C(c2ccccc2F)C(C)N)CC1.
What is the InChIKey of 1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine?
The InChIKey is XEYLTGQBDWQUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-4-13(2)20-9-11-21(12-10-20)17(14(3)19)15-7-5-6-8-16(15)18/h5-8,13-14,17H,4,9-12,19H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine?
1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine has a molecular weight of 293.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 62773806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).