1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine

C15H23FN2O — CID 95471785

IUPAC1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine
SMILESCCOc1ccc(CCCN2CCNCC2)cc1F
InChIInChI=1S/C15H23FN2O/c1-2-19-15-6-5-13(12-14(15)16)4-3-9-18-10-7-17-8-11-18/h5-6,12,17H,2-4,7-11H2,1H3
InChIKeyNJTYPZBTSIHXEC-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.06
Rot. Bonds6

About 1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine

1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine (PubChem CID 95471785) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine
PubChem CID95471785
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine
SMILESCCOc1ccc(CCCN2CCNCC2)cc1F
InChIInChI=1S/C15H23FN2O/c1-2-19-15-6-5-13(12-14(15)16)4-3-9-18-10-7-17-8-11-18/h5-6,12,17H,2-4,7-11H2,1H3
InChIKeyNJTYPZBTSIHXEC-UHFFFAOYSA-N
XLogP2.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine
CID 170863848
1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82116765
1-[2-(3-tert-butyl-4-ethoxyphenyl)ethyl]piperazine
CID 82263880
1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine
CID 95472670
1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine
CID 82160590
1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine
CID 83933258
4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene
CID 118847164
4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine
CID 82291965
1-[2-[(3-fluoro-4-methoxyphenyl)methoxy]ethyl]piperazine
CID 98018148
5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine
CID 116925225
2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 82071130
5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline
CID 82071077

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine?
The IUPAC name of 1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine (CID 95471785) is 1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine.
What is the SMILES notation for 1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine?
The canonical SMILES for 1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine is CCOc1ccc(CCCN2CCNCC2)cc1F.
What is the InChIKey of 1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine?
The InChIKey is NJTYPZBTSIHXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-2-19-15-6-5-13(12-14(15)16)4-3-9-18-10-7-17-8-11-18/h5-6,12,17H,2-4,7-11H2,1H3.
What are the key properties of 1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine?
1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine has a molecular weight of 266.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine is sourced from PubChem (CID 95471785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).