1-[(1S)-1-(3,5-difluorophenyl)hept-6-enyl]piperazine

C17H24F2N2 — CID 171164418

IUPAC1-[(1S)-1-(3,5-difluorophenyl)hept-6-enyl]piperazine
SMILESC=CCCCC[C@@H](c1cc(F)cc(F)c1)N1CCNCC1
InChIInChI=1S/C17H24F2N2/c1-2-3-4-5-6-17(21-9-7-20-8-10-21)14-11-15(18)13-16(19)12-14/h2,11-13,17,20H,1,3-10H2/t17-/m0/s1
InChIKeyATZAFNINUKVHHJ-KRWDZBQOSA-N
MW294.39 g/mol
LogP3.66
Rot. Bonds7

About 1-[(1S)-1-(3,5-difluorophenyl)hept-6-enyl]piperazine

1-[(1S)-1-(3,5-difluorophenyl)hept-6-enyl]piperazine (PubChem CID 171164418) has the molecular formula C17H24F2N2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[(1S)-1-(3,5-difluorophenyl)hept-6-enyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(3,5-difluorophenyl)hept-6-enyl]piperazine
PubChem CID171164418
Molecular FormulaC17H24F2N2
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-[(1S)-1-(3,5-difluorophenyl)hept-6-enyl]piperazine
SMILESC=CCCCC[C@@H](c1cc(F)cc(F)c1)N1CCNCC1
InChIInChI=1S/C17H24F2N2/c1-2-3-4-5-6-17(21-9-7-20-8-10-21)14-11-15(18)13-16(19)12-14/h2,11-13,17,20H,1,3-10H2/t17-/m0/s1
InChIKeyATZAFNINUKVHHJ-KRWDZBQOSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1-(3-chloro-5-fluorophenyl)hept-6-enyl]piperazine;hydrochloride
CID 171169861
1-[(1R)-1-(4-fluorophenyl)hept-6-enyl]piperazine
CID 171168284
1-[(1R)-1-(2,3,5-trifluorophenyl)hept-6-enyl]piperazine
CID 171170071
1-[(1S)-1-(3,5-difluorophenyl)hexyl]piperazine;hydrochloride
CID 171164403
1-[(1S)-1-(4-fluoro-3-methylphenyl)hept-6-enyl]piperazine;hydrochloride
CID 171164195
1-[(1S)-1-[4-(difluoromethoxy)phenyl]hept-6-enyl]piperazine
CID 171165023
2-fluoro-4-[(1R)-1-piperazin-1-ylhept-6-enyl]phenol;hydrochloride
CID 171168203
1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hept-6-enyl]piperazine
CID 171169252
1-[(1S)-1-(3,5-difluorophenyl)-3-fluoropropyl]piperazine
CID 171164456
1-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)hept-6-enyl]piperazine;hydrochloride
CID 171166846
1-[(1S)-1-(3,5-difluorophenyl)-4,4,4-trifluorobutyl]piperazine
CID 171164426
1-[(1S)-1-(3,5-difluorophenyl)butyl]piperazine
CID 171164364

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3,5-difluorophenyl)hept-6-enyl]piperazine?
The IUPAC name of 1-[(1S)-1-(3,5-difluorophenyl)hept-6-enyl]piperazine (CID 171164418) is 1-[(1S)-1-(3,5-difluorophenyl)hept-6-enyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(3,5-difluorophenyl)hept-6-enyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(3,5-difluorophenyl)hept-6-enyl]piperazine is C=CCCCC[C@@H](c1cc(F)cc(F)c1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(3,5-difluorophenyl)hept-6-enyl]piperazine?
The InChIKey is ATZAFNINUKVHHJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24F2N2/c1-2-3-4-5-6-17(21-9-7-20-8-10-21)14-11-15(18)13-16(19)12-14/h2,11-13,17,20H,1,3-10H2/t17-/m0/s1.
What are the key properties of 1-[(1S)-1-(3,5-difluorophenyl)hept-6-enyl]piperazine?
1-[(1S)-1-(3,5-difluorophenyl)hept-6-enyl]piperazine has a molecular weight of 294.39 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3,5-difluorophenyl)hept-6-enyl]piperazine is sourced from PubChem (CID 171164418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).