1-(3-fluoro-4-methoxyphenyl)-2-methyl-5-propylpiperazine

C15H23FN2O — CID 64934821

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-methyl-5-propylpiperazine
SMILESCCCC1CN(c2ccc(OC)c(F)c2)C(C)CN1
InChIInChI=1S/C15H23FN2O/c1-4-5-12-10-18(11(2)9-17-12)13-6-7-15(19-3)14(16)8-13/h6-8,11-12,17H,4-5,9-10H2,1-3H3
InChIKeyDTFUKEZAJVSYIL-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.80
Rot. Bonds4

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

1-(3-fluoro-4-methoxyphenyl)-2-methyl-5-propylpiperazine (PubChem CID 64934821) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-methyl-5-propylpiperazine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-methyl-5-propylpiperazine
PubChem CID64934821
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-methyl-5-propylpiperazine
SMILESCCCC1CN(c2ccc(OC)c(F)c2)C(C)CN1
InChIInChI=1S/C15H23FN2O/c1-4-5-12-10-18(11(2)9-17-12)13-6-7-15(19-3)14(16)8-13/h6-8,11-12,17H,4-5,9-10H2,1-3H3
InChIKeyDTFUKEZAJVSYIL-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-(3-fluoro-4-methoxyphenyl)-2-methyl-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

Related Compounds

1-(4-fluoro-3-methylphenyl)-2-methyl-5-propylpiperazine
CID 64940190
1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propylpiperazine
CID 64933518
1-(4-fluoro-3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine
CID 114840951
1-(3,4-dichlorophenyl)-2-methyl-5-propylpiperazine
CID 64933320
1-(2,5-difluorophenyl)-2-methyl-5-propylpiperazine
CID 64932182
1-(2-fluoro-5-methylphenyl)-2-methyl-5-propylpiperazine
CID 64933636
1-(2,5-difluoro-4-methylphenyl)-2-methyl-5-propylpiperazine
CID 103587633
1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine
CID 64930823
1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64846366
1-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64930640
2-methyl-1-(2,3,4,5,6-pentafluorophenyl)-5-propylpiperazine
CID 115565123
1-[(2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64846377

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-methyl-5-propylpiperazine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-methyl-5-propylpiperazine (CID 64934821) is 1-(3-fluoro-4-methoxyphenyl)-2-methyl-5-propylpiperazine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-methyl-5-propylpiperazine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-methyl-5-propylpiperazine is CCCC1CN(c2ccc(OC)c(F)c2)C(C)CN1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-methyl-5-propylpiperazine?
The InChIKey is DTFUKEZAJVSYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-4-5-12-10-18(11(2)9-17-12)13-6-7-15(19-3)14(16)8-13/h6-8,11-12,17H,4-5,9-10H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-methyl-5-propylpiperazine?
1-(3-fluoro-4-methoxyphenyl)-2-methyl-5-propylpiperazine has a molecular weight of 266.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-methyl-5-propylpiperazine is sourced from PubChem (CID 64934821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).