1-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine

C17H27FN2 — CID 64930640

IUPAC1-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine
SMILESCCCC1CN(c2ccc(C)c(F)c2)C(C(C)C)CN1
InChIInChI=1S/C17H27FN2/c1-5-6-14-11-20(17(10-19-14)12(2)3)15-8-7-13(4)16(18)9-15/h7-9,12,14,17,19H,5-6,10-11H2,1-4H3
InChIKeyMOXHXRRANGFVJL-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.74
Rot. Bonds4

About 1-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine

1-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine (PubChem CID 64930640) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine
PubChem CID64930640
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name1-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine
SMILESCCCC1CN(c2ccc(C)c(F)c2)C(C(C)C)CN1
InChIInChI=1S/C17H27FN2/c1-5-6-14-11-20(17(10-19-14)12(2)3)15-8-7-13(4)16(18)9-15/h7-9,12,14,17,19H,5-6,10-11H2,1-4H3
InChIKeyMOXHXRRANGFVJL-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine 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-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine (CID 64930640) is 1-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine is CCCC1CN(c2ccc(C)c(F)c2)C(C(C)C)CN1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine?
The InChIKey is MOXHXRRANGFVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-5-6-14-11-20(17(10-19-14)12(2)3)15-8-7-13(4)16(18)9-15/h7-9,12,14,17,19H,5-6,10-11H2,1-4H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine?
1-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine has a molecular weight of 278.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine is sourced from PubChem (CID 64930640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).