1-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-4-propylpiperazine

C14H20F4N2 — CID 150227599

IUPAC1-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-4-propylpiperazine
SMILESCCCN1CCN(C2=CC=CC(F)(C(F)(F)F)C2)CC1
InChIInChI=1S/C14H20F4N2/c1-2-6-19-7-9-20(10-8-19)12-4-3-5-13(15,11-12)14(16,17)18/h3-5H,2,6-11H2,1H3
InChIKeyFUUDZDNZTYOBCD-UHFFFAOYSA-N
MW292.32 g/mol
LogP3.13
Rot. Bonds3

About 1-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-4-propylpiperazine

1-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-4-propylpiperazine (PubChem CID 150227599) has the molecular formula C14H20F4N2 and a molecular weight of 292.32 g/mol. Its IUPAC name is 1-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-4-propylpiperazine
PubChem CID150227599
Molecular FormulaC14H20F4N2
Molecular Weight292.32 g/mol
Exact Mass292.16
IUPAC Name1-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-4-propylpiperazine
SMILESCCCN1CCN(C2=CC=CC(F)(C(F)(F)F)C2)CC1
InChIInChI=1S/C14H20F4N2/c1-2-6-19-7-9-20(10-8-19)12-4-3-5-13(15,11-12)14(16,17)18/h3-5H,2,6-11H2,1H3
InChIKeyFUUDZDNZTYOBCD-UHFFFAOYSA-N
XLogP3.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(3,5-difluoro-3-methylcyclohexa-1,5-dien-1-yl)-2,4-dimethylpiperazine
CID 69939424
(2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine
CID 90268007
1-(2-Fluoroethyl)-4-[[4-methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperazine
CID 123443565
1-Methyl-4-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine
CID 123544546
N,N,N'-trimethyl-N'-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine
CID 123566839
1-(2-Fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 141158726
1-Methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine
CID 142129067
1-(4-Fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine
CID 142182809
1-Methyl-4-[4-methyl-6-(trifluoromethyl)cyclohepta-1,4-dien-1-yl]piperazine
CID 144657290
4-(4-Fluorocyclohexa-1,3-dien-1-yl)-1,2,2-trimethylpiperazine
CID 144662376
(2R)-4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine
CID 144662385
1-(4-Fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethylpiperazine
CID 144662412

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-4-propylpiperazine?
The IUPAC name of 1-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-4-propylpiperazine (CID 150227599) is 1-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-4-propylpiperazine.
What is the SMILES notation for 1-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-4-propylpiperazine?
The canonical SMILES for 1-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-4-propylpiperazine is CCCN1CCN(C2=CC=CC(F)(C(F)(F)F)C2)CC1.
What is the InChIKey of 1-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-4-propylpiperazine?
The InChIKey is FUUDZDNZTYOBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F4N2/c1-2-6-19-7-9-20(10-8-19)12-4-3-5-13(15,11-12)14(16,17)18/h3-5H,2,6-11H2,1H3.
What are the key properties of 1-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-4-propylpiperazine?
1-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-4-propylpiperazine has a molecular weight of 292.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-4-propylpiperazine is sourced from PubChem (CID 150227599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).