1-cyclooctyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium

C19H28F3N2+ — CID 7441354

IUPAC1-cyclooctyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
SMILESFC(F)(F)c1cccc(N2CC[NH+](C3CCCCCCC3)CC2)c1
InChIInChI=1S/C19H27F3N2/c20-19(21,22)16-7-6-10-18(15-16)24-13-11-23(12-14-24)17-8-4-2-1-3-5-9-17/h6-7,10,15,17H,1-5,8-9,11-14H2/p+1
InChIKeyHKQFXGOETYYZMU-UHFFFAOYSA-O
MW341.44 g/mol
LogP3.52
Rot. Bonds2

About 1-cyclooctyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium

1-cyclooctyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium (PubChem CID 7441354) has the molecular formula C19H28F3N2+ and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-cyclooctyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium.

Molecular Properties

Compound Name1-cyclooctyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
PubChem CID7441354
Molecular FormulaC19H28F3N2+
Molecular Weight341.44 g/mol
Exact Mass341.22
IUPAC Name1-cyclooctyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
SMILESFC(F)(F)c1cccc(N2CC[NH+](C3CCCCCCC3)CC2)c1
InChIInChI=1S/C19H27F3N2/c20-19(21,22)16-7-6-10-18(15-16)24-13-11-23(12-14-24)17-8-4-2-1-3-5-9-17/h6-7,10,15,17H,1-5,8-9,11-14H2/p+1
InChIKeyHKQFXGOETYYZMU-UHFFFAOYSA-O
XLogP3.52
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
CID 11904589
1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 56718695
N-cyclohexyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
CID 1429129
2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 21096919
3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 123229345
1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 784417
1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 169336754
1-[(4-bromophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
CID 6983028
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
4,4,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-1,5-diazocane
CID 146522074
1-[(3R)-piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 93115751

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium?
The IUPAC name of 1-cyclooctyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium (CID 7441354) is 1-cyclooctyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium.
What is the SMILES notation for 1-cyclooctyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium?
The canonical SMILES for 1-cyclooctyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium is FC(F)(F)c1cccc(N2CC[NH+](C3CCCCCCC3)CC2)c1.
What is the InChIKey of 1-cyclooctyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium?
The InChIKey is HKQFXGOETYYZMU-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H27F3N2/c20-19(21,22)16-7-6-10-18(15-16)24-13-11-23(12-14-24)17-8-4-2-1-3-5-9-17/h6-7,10,15,17H,1-5,8-9,11-14H2/p+1.
What are the key properties of 1-cyclooctyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium?
1-cyclooctyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium has a molecular weight of 341.44 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium is sourced from PubChem (CID 7441354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).