tert-butyl 4-(8-fluorocycloocta-1,3,7-triene-1-carbonyl)piperidine-1-carboxylate

C19H26FNO3 — CID 123718302

IUPACtert-butyl 4-(8-fluorocycloocta-1,3,7-triene-1-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)C2=CC=CCCC=C2F)CC1
InChIInChI=1S/C19H26FNO3/c1-19(2,3)24-18(23)21-12-10-14(11-13-21)17(22)15-8-6-4-5-7-9-16(15)20/h4,6,8-9,14H,5,7,10-13H2,1-3H3
InChIKeyYGYCRRJLOITQGZ-UHFFFAOYSA-N
MW335.42 g/mol
LogP4.33
Rot. Bonds2

About tert-butyl 4-(8-fluorocycloocta-1,3,7-triene-1-carbonyl)piperidine-1-carboxylate

tert-butyl 4-(8-fluorocycloocta-1,3,7-triene-1-carbonyl)piperidine-1-carboxylate (PubChem CID 123718302) has the molecular formula C19H26FNO3 and a molecular weight of 335.42 g/mol. Its IUPAC name is tert-butyl 4-(8-fluorocycloocta-1,3,7-triene-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(8-fluorocycloocta-1,3,7-triene-1-carbonyl)piperidine-1-carboxylate
PubChem CID123718302
Molecular FormulaC19H26FNO3
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Nametert-butyl 4-(8-fluorocycloocta-1,3,7-triene-1-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)C2=CC=CCCC=C2F)CC1
InChIInChI=1S/C19H26FNO3/c1-19(2,3)24-18(23)21-12-10-14(11-13-21)17(22)15-8-6-4-5-7-9-16(15)20/h4,6,8-9,14H,5,7,10-13H2,1-3H3
InChIKeyYGYCRRJLOITQGZ-UHFFFAOYSA-N
XLogP4.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 4-(but-2-enoyl)piperidine-1-carboxylate
CID 137699029
tert-butyl 4a-fluoro-5-oxo-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 89649900
tert-butyl (4aR)-4a-fluoro-5-oxo-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 89649901
tert-butyl (10E,12Z)-11-fluoro-9-methylidene-8-oxo-3-azaspiro[5.9]pentadeca-10,12-diene-3-carboxylate
CID 117756911
Tert-butyl 4-[5-(trifluoromethyl)cyclohexa-1,4-diene-1-carbonyl]piperidine-1-carboxylate
CID 123618843
tert-butyl 4-[(3Z,5Z)-3-fluoro-2-methylidene-4-(trifluoromethyl)hepta-3,5-dienoyl]piperidine-1-carboxylate
CID 142164373
tert-butyl 4-[(1R)-5-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl]piperidine-1-carboxylate
CID 144474413
Tert-butyl 4-(4-fluoro-5-oxocyclohexa-1,3-dien-1-yl)piperidine-1-carboxylate
CID 159641346
Tert-butyl 4-[2-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 163614339
tert-butyl 3-fluoro-4-[(2E,5Z)-4-methylidenehepta-2,5-dien-2-yl]piperidine-1-carboxylate
CID 168180920
Tert-butyl 4-(3-methylbut-2-enoyl)piperidine-1-carboxylate
CID 138962997
Tert-butyl 4-[2-(2-fluorocyclohepta-1,3-dien-1-yl)propanoyl]piperidine-1-carboxylate
CID 142816535

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(8-fluorocycloocta-1,3,7-triene-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(8-fluorocycloocta-1,3,7-triene-1-carbonyl)piperidine-1-carboxylate (CID 123718302) is tert-butyl 4-(8-fluorocycloocta-1,3,7-triene-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(8-fluorocycloocta-1,3,7-triene-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(8-fluorocycloocta-1,3,7-triene-1-carbonyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)C2=CC=CCCC=C2F)CC1.
What is the InChIKey of tert-butyl 4-(8-fluorocycloocta-1,3,7-triene-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is YGYCRRJLOITQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO3/c1-19(2,3)24-18(23)21-12-10-14(11-13-21)17(22)15-8-6-4-5-7-9-16(15)20/h4,6,8-9,14H,5,7,10-13H2,1-3H3.
What are the key properties of tert-butyl 4-(8-fluorocycloocta-1,3,7-triene-1-carbonyl)piperidine-1-carboxylate?
tert-butyl 4-(8-fluorocycloocta-1,3,7-triene-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 335.42 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(8-fluorocycloocta-1,3,7-triene-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 123718302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).