1-[(1S)-1-(4-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine

C16H23FN2O — CID 171281332

IUPAC1-[(1S)-1-(4-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine
SMILESC=CCC[C@@H](c1ccc(F)cc1OC)N1CCNCC1
InChIInChI=1S/C16H23FN2O/c1-3-4-5-15(19-10-8-18-9-11-19)14-7-6-13(17)12-16(14)20-2/h3,6-7,12,15,18H,1,4-5,8-11H2,2H3/t15-/m0/s1
InChIKeyOIADXWVZYCCBAH-HNNXBMFYSA-N
MW278.37 g/mol
LogP2.75
Rot. Bonds6

About 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine

1-[(1S)-1-(4-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine (PubChem CID 171281332) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(4-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine
PubChem CID171281332
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-[(1S)-1-(4-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine
SMILESC=CCC[C@@H](c1ccc(F)cc1OC)N1CCNCC1
InChIInChI=1S/C16H23FN2O/c1-3-4-5-15(19-10-8-18-9-11-19)14-7-6-13(17)12-16(14)20-2/h3,6-7,12,15,18H,1,4-5,8-11H2,2H3/t15-/m0/s1
InChIKeyOIADXWVZYCCBAH-HNNXBMFYSA-N
XLogP2.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-1-(4-fluoro-2-methoxyphenyl)hept-6-enyl]piperazine;hydrochloride
CID 171170036
1-[(1R)-1-(5-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171290387
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171277762
3-methoxy-4-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171274519
1-[(1R)-1-(4-fluoro-2-methylphenyl)pent-4-enyl]piperazine
CID 171287903
1-[(1S)-1-(4-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine
CID 171310391
1-[(1R)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine
CID 171170122
1-[(1S)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine
CID 171164771
1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171295391
1-[(1S)-1-(2-bromo-4-fluorophenyl)pent-4-enyl]piperazine
CID 171274875
1-[(1S)-1-(2,5-difluorophenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171277062
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)pent-4-enyl]piperazine
CID 171293400

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine?
The IUPAC name of 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine (CID 171281332) is 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine is C=CCC[C@@H](c1ccc(F)cc1OC)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine?
The InChIKey is OIADXWVZYCCBAH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-3-4-5-15(19-10-8-18-9-11-19)14-7-6-13(17)12-16(14)20-2/h3,6-7,12,15,18H,1,4-5,8-11H2,2H3/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine?
1-[(1S)-1-(4-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine has a molecular weight of 278.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine is sourced from PubChem (CID 171281332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).