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

C17H27FN2O — CID 114840951

IUPAC1-(4-fluoro-3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine
SMILESCCCC1CN(c2ccc(F)c(OC)c2)C(C(C)C)CN1
InChIInChI=1S/C17H27FN2O/c1-5-6-13-11-20(16(10-19-13)12(2)3)14-7-8-15(18)17(9-14)21-4/h7-9,12-13,16,19H,5-6,10-11H2,1-4H3
InChIKeyQUSMINPZWJISQG-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.44
Rot. Bonds5

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

1-(4-fluoro-3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine (PubChem CID 114840951) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine
PubChem CID114840951
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine
SMILESCCCC1CN(c2ccc(F)c(OC)c2)C(C(C)C)CN1
InChIInChI=1S/C17H27FN2O/c1-5-6-13-11-20(16(10-19-13)12(2)3)14-7-8-15(18)17(9-14)21-4/h7-9,12-13,16,19H,5-6,10-11H2,1-4H3
InChIKeyQUSMINPZWJISQG-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine (CID 114840951) is 1-(4-fluoro-3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine is CCCC1CN(c2ccc(F)c(OC)c2)C(C(C)C)CN1.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine?
The InChIKey is QUSMINPZWJISQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-5-6-13-11-20(16(10-19-13)12(2)3)14-7-8-15(18)17(9-14)21-4/h7-9,12-13,16,19H,5-6,10-11H2,1-4H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine?
1-(4-fluoro-3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine has a molecular weight of 294.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine is sourced from PubChem (CID 114840951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).