1-[(1R)-1-(4-fluoro-2-methylphenyl)pent-4-enyl]piperazine

C16H23FN2 — CID 171287903

IUPAC1-[(1R)-1-(4-fluoro-2-methylphenyl)pent-4-enyl]piperazine
SMILESC=CCC[C@H](c1ccc(F)cc1C)N1CCNCC1
InChIInChI=1S/C16H23FN2/c1-3-4-5-16(19-10-8-18-9-11-19)15-7-6-14(17)12-13(15)2/h3,6-7,12,16,18H,1,4-5,8-11H2,2H3/t16-/m1/s1
InChIKeyXWQVDJPOYWIWDT-MRXNPFEDSA-N
MW262.37 g/mol
LogP3.05
Rot. Bonds5

About 1-[(1R)-1-(4-fluoro-2-methylphenyl)pent-4-enyl]piperazine

1-[(1R)-1-(4-fluoro-2-methylphenyl)pent-4-enyl]piperazine (PubChem CID 171287903) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-[(1R)-1-(4-fluoro-2-methylphenyl)pent-4-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(4-fluoro-2-methylphenyl)pent-4-enyl]piperazine
PubChem CID171287903
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name1-[(1R)-1-(4-fluoro-2-methylphenyl)pent-4-enyl]piperazine
SMILESC=CCC[C@H](c1ccc(F)cc1C)N1CCNCC1
InChIInChI=1S/C16H23FN2/c1-3-4-5-16(19-10-8-18-9-11-19)15-7-6-14(17)12-13(15)2/h3,6-7,12,16,18H,1,4-5,8-11H2,2H3/t16-/m1/s1
InChIKeyXWQVDJPOYWIWDT-MRXNPFEDSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1-(2,4-dimethylphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171294885
1-[(1S)-1-(2-bromo-4-fluorophenyl)pent-4-enyl]piperazine
CID 171274875
1-[(1S)-1-(4-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine
CID 171281332
1-[(1S)-1-(2,5-difluorophenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171277062
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171277762
1-[(1R)-1-(5-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171290387
1-[(1S)-1-(4-fluoro-2-methylphenyl)-3-methylbut-3-enyl]piperazine
CID 171275277
1-[(1R)-3,3,3-trifluoro-1-(4-fluoro-2-methylphenyl)propyl]piperazine;hydrochloride
CID 171168966
1-[(1S)-1-(5-chloro-2-fluorophenyl)pent-4-enyl]piperazine
CID 171275471
1-[(1S)-1-(4-fluoro-2-methylphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171275255
1-[(1R)-1-(4-fluoro-2-methoxyphenyl)hept-6-enyl]piperazine;hydrochloride
CID 171170036
1-[(1R)-1-(2,6-difluoro-3-methylphenyl)pent-4-enyl]piperazine
CID 171293030

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-fluoro-2-methylphenyl)pent-4-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-(4-fluoro-2-methylphenyl)pent-4-enyl]piperazine (CID 171287903) is 1-[(1R)-1-(4-fluoro-2-methylphenyl)pent-4-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(4-fluoro-2-methylphenyl)pent-4-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(4-fluoro-2-methylphenyl)pent-4-enyl]piperazine is C=CCC[C@H](c1ccc(F)cc1C)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(4-fluoro-2-methylphenyl)pent-4-enyl]piperazine?
The InChIKey is XWQVDJPOYWIWDT-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23FN2/c1-3-4-5-16(19-10-8-18-9-11-19)15-7-6-14(17)12-13(15)2/h3,6-7,12,16,18H,1,4-5,8-11H2,2H3/t16-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-fluoro-2-methylphenyl)pent-4-enyl]piperazine?
1-[(1R)-1-(4-fluoro-2-methylphenyl)pent-4-enyl]piperazine has a molecular weight of 262.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-fluoro-2-methylphenyl)pent-4-enyl]piperazine is sourced from PubChem (CID 171287903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).