1-butyl-4-(4-fluorocyclohexa-1,3-dien-1-yl)oxypiperidine

C15H24FNO — CID 143503258

IUPAC1-butyl-4-(4-fluorocyclohexa-1,3-dien-1-yl)oxypiperidine
SMILESCCCCN1CCC(OC2=CC=C(F)CC2)CC1
InChIInChI=1S/C15H24FNO/c1-2-3-10-17-11-8-15(9-12-17)18-14-6-4-13(16)5-7-14/h4,6,15H,2-3,5,7-12H2,1H3
InChIKeyUNBWYQGEQYOWMR-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.80
Rot. Bonds5

About 1-butyl-4-(4-fluorocyclohexa-1,3-dien-1-yl)oxypiperidine

1-butyl-4-(4-fluorocyclohexa-1,3-dien-1-yl)oxypiperidine (PubChem CID 143503258) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-butyl-4-(4-fluorocyclohexa-1,3-dien-1-yl)oxypiperidine.

Molecular Properties

Compound Name1-butyl-4-(4-fluorocyclohexa-1,3-dien-1-yl)oxypiperidine
PubChem CID143503258
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-butyl-4-(4-fluorocyclohexa-1,3-dien-1-yl)oxypiperidine
SMILESCCCCN1CCC(OC2=CC=C(F)CC2)CC1
InChIInChI=1S/C15H24FNO/c1-2-3-10-17-11-8-15(9-12-17)18-14-6-4-13(16)5-7-14/h4,6,15H,2-3,5,7-12H2,1H3
InChIKeyUNBWYQGEQYOWMR-UHFFFAOYSA-N
XLogP3.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine
CID 143392129
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-Methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxypiperidine
CID 173168342
1-[3-(5-Fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine
CID 173184242
1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine
CID 118058189
1-(4-Ethoxycyclohexa-1,3-dien-1-yl)piperidine
CID 123679431
1-(3-Cyclohexa-1,3-dien-1-yloxypropyl)piperidine
CID 141109596
4-Cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine
CID 142327140
4-Cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine;ethane
CID 144279255
4-Cyclohexa-1,5-dien-1-yloxy-1-ethylpiperidine
CID 173184417

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(4-fluorocyclohexa-1,3-dien-1-yl)oxypiperidine?
The IUPAC name of 1-butyl-4-(4-fluorocyclohexa-1,3-dien-1-yl)oxypiperidine (CID 143503258) is 1-butyl-4-(4-fluorocyclohexa-1,3-dien-1-yl)oxypiperidine.
What is the SMILES notation for 1-butyl-4-(4-fluorocyclohexa-1,3-dien-1-yl)oxypiperidine?
The canonical SMILES for 1-butyl-4-(4-fluorocyclohexa-1,3-dien-1-yl)oxypiperidine is CCCCN1CCC(OC2=CC=C(F)CC2)CC1.
What is the InChIKey of 1-butyl-4-(4-fluorocyclohexa-1,3-dien-1-yl)oxypiperidine?
The InChIKey is UNBWYQGEQYOWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-2-3-10-17-11-8-15(9-12-17)18-14-6-4-13(16)5-7-14/h4,6,15H,2-3,5,7-12H2,1H3.
What are the key properties of 1-butyl-4-(4-fluorocyclohexa-1,3-dien-1-yl)oxypiperidine?
1-butyl-4-(4-fluorocyclohexa-1,3-dien-1-yl)oxypiperidine has a molecular weight of 253.36 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(4-fluorocyclohexa-1,3-dien-1-yl)oxypiperidine is sourced from PubChem (CID 143503258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).