1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylpiperazine

C15H23FN2O — CID 104795217

IUPAC1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylpiperazine
SMILESCCCC1CN(Cc2cccc(OC)c2F)CCN1
InChIInChI=1S/C15H23FN2O/c1-3-5-13-11-18(9-8-17-13)10-12-6-4-7-14(19-2)15(12)16/h4,6-7,13,17H,3,5,8-11H2,1-2H3
InChIKeyCNFPDPMUKIUDDI-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.41
Rot. Bonds5

About 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylpiperazine

1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylpiperazine (PubChem CID 104795217) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylpiperazine.

Molecular Properties

Compound Name1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylpiperazine
PubChem CID104795217
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylpiperazine
SMILESCCCC1CN(Cc2cccc(OC)c2F)CCN1
InChIInChI=1S/C15H23FN2O/c1-3-5-13-11-18(9-8-17-13)10-12-6-4-7-14(19-2)15(12)16/h4,6-7,13,17H,3,5,8-11H2,1-2H3
InChIKeyCNFPDPMUKIUDDI-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 83811098
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methyl-1,4-diazepane
CID 113453941
(3S,4R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 104794531
1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 104792857
3-(bromomethyl)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 104794921
(3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine
CID 95443854
1-[2-(3-methoxyphenyl)ethyl]-3-propylpiperazine
CID 107854185
4-chloro-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 104794846
1-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carbaldehyde
CID 104794777
1-[(2-fluoro-3-methylphenyl)methyl]-3-methylpiperazine
CID 83811096
1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563754
(3R)-1-[(3-fluoro-2-methoxyphenyl)methyl]-3-methylpiperazine
CID 167713386

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylpiperazine?
The IUPAC name of 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylpiperazine (CID 104795217) is 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylpiperazine.
What is the SMILES notation for 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylpiperazine?
The canonical SMILES for 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylpiperazine is CCCC1CN(Cc2cccc(OC)c2F)CCN1.
What is the InChIKey of 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylpiperazine?
The InChIKey is CNFPDPMUKIUDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-5-13-11-18(9-8-17-13)10-12-6-4-7-14(19-2)15(12)16/h4,6-7,13,17H,3,5,8-11H2,1-2H3.
What are the key properties of 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylpiperazine?
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylpiperazine has a molecular weight of 266.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylpiperazine is sourced from PubChem (CID 104795217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).