1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine

C16H25FN2O — CID 83944159

IUPAC1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine
SMILESCCCOc1ccc(F)cc1CCCN1CCNCC1
InChIInChI=1S/C16H25FN2O/c1-2-12-20-16-6-5-15(17)13-14(16)4-3-9-19-10-7-18-8-11-19/h5-6,13,18H,2-4,7-12H2,1H3
InChIKeyWUOXBOLUPYNUMD-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.45
Rot. Bonds7

About 1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine

1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine (PubChem CID 83944159) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine
PubChem CID83944159
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine
SMILESCCCOc1ccc(F)cc1CCCN1CCNCC1
InChIInChI=1S/C16H25FN2O/c1-2-12-20-16-6-5-15(17)13-14(16)4-3-9-19-10-7-18-8-11-19/h5-6,13,18H,2-4,7-12H2,1H3
InChIKeyWUOXBOLUPYNUMD-UHFFFAOYSA-N
XLogP2.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine
CID 82160590
1-[2-[4-fluoro-2-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperazine
CID 139743344
1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine
CID 170863848
1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]piperazine
CID 83940966
1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine
CID 83933258
1-[2-(2-ethyl-5-fluorophenyl)ethyl]piperazine
CID 84798240
1-[3-(2-ethoxyphenyl)propyl]-1,4-diazepane
CID 95468566
1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine
CID 95471785
1-[2-(2,4-difluorophenoxy)ethyl]-1,4-diazepane
CID 82088956
6-(5-fluoro-2-propoxyphenyl)hexan-3-amine
CID 83944180
1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine
CID 83934072
1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol
CID 83944242

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine?
The IUPAC name of 1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine (CID 83944159) is 1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine.
What is the SMILES notation for 1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine?
The canonical SMILES for 1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine is CCCOc1ccc(F)cc1CCCN1CCNCC1.
What is the InChIKey of 1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine?
The InChIKey is WUOXBOLUPYNUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-2-12-20-16-6-5-15(17)13-14(16)4-3-9-19-10-7-18-8-11-19/h5-6,13,18H,2-4,7-12H2,1H3.
What are the key properties of 1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine?
1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine has a molecular weight of 280.39 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine is sourced from PubChem (CID 83944159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).