1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hept-6-enyl]piperazine

C18H24F4N2 — CID 171169252

IUPAC1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hept-6-enyl]piperazine
SMILESC=CCCCC[C@H](c1ccc(F)c(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C18H24F4N2/c1-2-3-4-5-6-17(24-11-9-23-10-12-24)14-7-8-16(19)15(13-14)18(20,21)22/h2,7-8,13,17,23H,1,3-6,9-12H2/t17-/m1/s1
InChIKeyNYVWNCOPRNSEPG-QGZVFWFLSA-N
MW344.40 g/mol
LogP4.54
Rot. Bonds7

About 1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hept-6-enyl]piperazine

1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hept-6-enyl]piperazine (PubChem CID 171169252) has the molecular formula C18H24F4N2 and a molecular weight of 344.40 g/mol. Its IUPAC name is 1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hept-6-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hept-6-enyl]piperazine
PubChem CID171169252
Molecular FormulaC18H24F4N2
Molecular Weight344.40 g/mol
Exact Mass344.19
IUPAC Name1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hept-6-enyl]piperazine
SMILESC=CCCCC[C@H](c1ccc(F)c(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C18H24F4N2/c1-2-3-4-5-6-17(24-11-9-23-10-12-24)14-7-8-16(19)15(13-14)18(20,21)22/h2,7-8,13,17,23H,1,3-6,9-12H2/t17-/m1/s1
InChIKeyNYVWNCOPRNSEPG-QGZVFWFLSA-N
XLogP4.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 54.54
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-[(1S)-1-(4-fluoro-3-methylphenyl)hept-6-enyl]piperazine;hydrochloride
CID 171164195
1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-enyl]piperazine;hydrochloride
CID 171169186
1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
CID 171169221
1-[(1R)-1-(4-fluorophenyl)hept-6-enyl]piperazine
CID 171168284
2-fluoro-4-[(1R)-1-piperazin-1-ylhept-6-enyl]phenol;hydrochloride
CID 171168203
1-[(1S)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171288465
1-[(1S)-1-(3,5-difluorophenyl)hept-6-enyl]piperazine
CID 171164418
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine
CID 171172096
1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]hept-6-enyl]piperazine
CID 171166735
1-[(1S)-1-[2,5-bis(trifluoromethyl)phenyl]hept-6-enyl]piperazine
CID 171166007
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine;hydrochloride
CID 171172097
(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol;hydrochloride
CID 171173554

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hept-6-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hept-6-enyl]piperazine (CID 171169252) is 1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hept-6-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hept-6-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hept-6-enyl]piperazine is C=CCCCC[C@H](c1ccc(F)c(C(F)(F)F)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hept-6-enyl]piperazine?
The InChIKey is NYVWNCOPRNSEPG-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24F4N2/c1-2-3-4-5-6-17(24-11-9-23-10-12-24)14-7-8-16(19)15(13-14)18(20,21)22/h2,7-8,13,17,23H,1,3-6,9-12H2/t17-/m1/s1.
What are the key properties of 1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hept-6-enyl]piperazine?
1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hept-6-enyl]piperazine has a molecular weight of 344.40 g/mol, XLogP of 4.54, 7 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-3-(trifluoromethyl)phenyl]hept-6-enyl]piperazine is sourced from PubChem (CID 171169252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).