1-[(1R)-1-(2,6-difluoro-3-methylphenyl)pent-4-enyl]piperazine

C16H22F2N2 — CID 171293030

IUPAC1-[(1R)-1-(2,6-difluoro-3-methylphenyl)pent-4-enyl]piperazine
SMILESC=CCC[C@H](c1c(F)ccc(C)c1F)N1CCNCC1
InChIInChI=1S/C16H22F2N2/c1-3-4-5-14(20-10-8-19-9-11-20)15-13(17)7-6-12(2)16(15)18/h3,6-7,14,19H,1,4-5,8-11H2,2H3/t14-/m1/s1
InChIKeyDRZTYRLLHWJZBR-CQSZACIVSA-N
MW280.36 g/mol
LogP3.19
Rot. Bonds5

About 1-[(1R)-1-(2,6-difluoro-3-methylphenyl)pent-4-enyl]piperazine

1-[(1R)-1-(2,6-difluoro-3-methylphenyl)pent-4-enyl]piperazine (PubChem CID 171293030) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-[(1R)-1-(2,6-difluoro-3-methylphenyl)pent-4-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,6-difluoro-3-methylphenyl)pent-4-enyl]piperazine
PubChem CID171293030
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC Name1-[(1R)-1-(2,6-difluoro-3-methylphenyl)pent-4-enyl]piperazine
SMILESC=CCC[C@H](c1c(F)ccc(C)c1F)N1CCNCC1
InChIInChI=1S/C16H22F2N2/c1-3-4-5-14(20-10-8-19-9-11-20)15-13(17)7-6-12(2)16(15)18/h3,6-7,14,19H,1,4-5,8-11H2,2H3/t14-/m1/s1
InChIKeyDRZTYRLLHWJZBR-CQSZACIVSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.19
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-(2,6-difluoro-3-methylphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171293015
1-[(1R)-1-(2,6-difluoro-3-methylphenyl)butyl]piperazine;hydrochloride
CID 171171970
1-[(1S)-1-(2,6-difluoro-3-methylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171166538
1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)hept-6-enyl]piperazine;hydrochloride
CID 171171872
1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)pent-4-enyl]piperazine
CID 171296385
1-[(1S)-1-(2,6-difluoro-3-methylphenyl)pentyl]piperazine;hydrochloride
CID 171166670
6-chloro-3-fluoro-2-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171302070
1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171290601
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)pent-4-enyl]piperazine
CID 171293400
1-[(1S)-1-(2,6-difluoro-3-methylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171180623
3-fluoro-6-methyl-2-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
CID 171300886
1-[(1R)-1-(4-fluoro-2-methylphenyl)pent-4-enyl]piperazine
CID 171287903

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,6-difluoro-3-methylphenyl)pent-4-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,6-difluoro-3-methylphenyl)pent-4-enyl]piperazine (CID 171293030) is 1-[(1R)-1-(2,6-difluoro-3-methylphenyl)pent-4-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,6-difluoro-3-methylphenyl)pent-4-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,6-difluoro-3-methylphenyl)pent-4-enyl]piperazine is C=CCC[C@H](c1c(F)ccc(C)c1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2,6-difluoro-3-methylphenyl)pent-4-enyl]piperazine?
The InChIKey is DRZTYRLLHWJZBR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22F2N2/c1-3-4-5-14(20-10-8-19-9-11-20)15-13(17)7-6-12(2)16(15)18/h3,6-7,14,19H,1,4-5,8-11H2,2H3/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,6-difluoro-3-methylphenyl)pent-4-enyl]piperazine?
1-[(1R)-1-(2,6-difluoro-3-methylphenyl)pent-4-enyl]piperazine has a molecular weight of 280.36 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,6-difluoro-3-methylphenyl)pent-4-enyl]piperazine is sourced from PubChem (CID 171293030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).