1-butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine

C16H24FNO — CID 143502498

IUPAC1-butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine
SMILESCCCCN1CCC(OC2=CCC=C(F)C=C2)CC1
InChIInChI=1S/C16H24FNO/c1-2-3-11-18-12-9-16(10-13-18)19-15-6-4-5-14(17)7-8-15/h5-8,16H,2-4,9-13H2,1H3
InChIKeyILFNQJZRIVTVIU-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.96
Rot. Bonds5

About 1-butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine

1-butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine (PubChem CID 143502498) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine.

Molecular Properties

Compound Name1-butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine
PubChem CID143502498
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine
SMILESCCCCN1CCC(OC2=CCC=C(F)C=C2)CC1
InChIInChI=1S/C16H24FNO/c1-2-3-11-18-12-9-16(10-13-18)19-15-6-4-5-14(17)7-8-15/h5-8,16H,2-4,9-13H2,1H3
InChIKeyILFNQJZRIVTVIU-UHFFFAOYSA-N
XLogP3.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine
CID 90703251
1-[(2E,4Z)-3-ethoxy-6-fluorohepta-2,4,6-trienyl]-3-methyl-4-[(E)-pent-2-en-2-yl]oxypiperidine
CID 134405162
3-[(3E,8E)-7,10-difluorodeca-3,5,8-trien-4-yl]oxy-N-methyl-N-propylpropan-1-amine
CID 139566255
1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine
CID 142009799
(4E,6Z)-N,N,4,5-tetramethyl-3-[4-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-yl]oxynona-4,6,8-trien-1-amine
CID 142961733
4-(4-Fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine
CID 143392129
ethane;1-methyl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxypiperidine
CID 143394648
4-(6-Fluorocyclohexa-1,5-dien-1-yl)oxy-1-methylpiperidine
CID 144191902
1-[3-(6-Fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine
CID 173134828
1-[3-(5-Fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine
CID 173184242
1-Methyl-4-[5-(trifluoromethoxy)cyclohepta-1,3,4,6-tetraen-1-yl]oxypiperidine
CID 142206696
4-[[(2E,4E,6E)-4-fluoro-8-methylnona-2,4,6-trien-3-yl]oxymethyl]-1-methylpiperidine
CID 142399915

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine?
The IUPAC name of 1-butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine (CID 143502498) is 1-butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine.
What is the SMILES notation for 1-butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine?
The canonical SMILES for 1-butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine is CCCCN1CCC(OC2=CCC=C(F)C=C2)CC1.
What is the InChIKey of 1-butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine?
The InChIKey is ILFNQJZRIVTVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-2-3-11-18-12-9-16(10-13-18)19-15-6-4-5-14(17)7-8-15/h5-8,16H,2-4,9-13H2,1H3.
What are the key properties of 1-butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine?
1-butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine has a molecular weight of 265.37 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine is sourced from PubChem (CID 143502498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).