1-[(1R)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine

C15H20F2N2 — CID 171289612

IUPAC1-[(1R)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine
SMILESC=CCC[C@H](c1cccc(F)c1F)N1CCNCC1
InChIInChI=1S/C15H20F2N2/c1-2-3-7-14(19-10-8-18-9-11-19)12-5-4-6-13(16)15(12)17/h2,4-6,14,18H,1,3,7-11H2/t14-/m1/s1
InChIKeyUMMNPQBEWNHUDN-CQSZACIVSA-N
MW266.33 g/mol
LogP2.88
Rot. Bonds5

About 1-[(1R)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine

1-[(1R)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine (PubChem CID 171289612) has the molecular formula C15H20F2N2 and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-[(1R)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine
PubChem CID171289612
Molecular FormulaC15H20F2N2
Molecular Weight266.33 g/mol
Exact Mass266.16
IUPAC Name1-[(1R)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine
SMILESC=CCC[C@H](c1cccc(F)c1F)N1CCNCC1
InChIInChI=1S/C15H20F2N2/c1-2-3-7-14(19-10-8-18-9-11-19)12-5-4-6-13(16)15(12)17/h2,4-6,14,18H,1,3,7-11H2/t14-/m1/s1
InChIKeyUMMNPQBEWNHUDN-CQSZACIVSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.88
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-[(1S)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine
CID 171276987
1-[(1R)-1-(2,3-difluorophenyl)butyl]piperazine
CID 171169482
1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine
CID 171164114
2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171274672
2-fluoro-6-[(1S)-1-piperazin-1-ylhept-6-enyl]phenol
CID 171162781
1-[(1S)-1-(5-chloro-2-fluorophenyl)pent-4-enyl]piperazine
CID 171275471
1-[(1S)-1-(2,3-difluorophenyl)hexyl]piperazine
CID 171164132
1-[(1R)-1-(2,3,4-trifluorophenyl)hept-6-enyl]piperazine;hydrochloride
CID 171170272
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
1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine
CID 171292685
1-[(1R)-1-(2,6-difluorophenyl)but-3-enyl]piperazine;hydrochloride
CID 171169529

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine (CID 171289612) is 1-[(1R)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine is C=CCC[C@H](c1cccc(F)c1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine?
The InChIKey is UMMNPQBEWNHUDN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20F2N2/c1-2-3-7-14(19-10-8-18-9-11-19)12-5-4-6-13(16)15(12)17/h2,4-6,14,18H,1,3,7-11H2/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine?
1-[(1R)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine has a molecular weight of 266.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine is sourced from PubChem (CID 171289612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).