1-[3-(6-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine

C14H22FNO — CID 173134828

IUPAC1-[3-(6-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine
SMILESFC1=CCCC=C1OCCCN1CCCCC1
InChIInChI=1S/C14H22FNO/c15-13-7-2-3-8-14(13)17-12-6-11-16-9-4-1-5-10-16/h7-8H,1-6,9-12H2
InChIKeyUEYVPROGKLQLKJ-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.41
Rot. Bonds5

About 1-[3-(6-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine

1-[3-(6-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine (PubChem CID 173134828) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-[3-(6-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine.

Molecular Properties

Compound Name1-[3-(6-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine
PubChem CID173134828
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-[3-(6-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine
SMILESFC1=CCCC=C1OCCCN1CCCCC1
InChIInChI=1S/C14H22FNO/c15-13-7-2-3-8-14(13)17-12-6-11-16-9-4-1-5-10-16/h7-8H,1-6,9-12H2
InChIKeyUEYVPROGKLQLKJ-UHFFFAOYSA-N
XLogP3.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine?
The IUPAC name of 1-[3-(6-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine (CID 173134828) is 1-[3-(6-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine.
What is the SMILES notation for 1-[3-(6-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine?
The canonical SMILES for 1-[3-(6-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine is FC1=CCCC=C1OCCCN1CCCCC1.
What is the InChIKey of 1-[3-(6-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine?
The InChIKey is UEYVPROGKLQLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c15-13-7-2-3-8-14(13)17-12-6-11-16-9-4-1-5-10-16/h7-8H,1-6,9-12H2.
What are the key properties of 1-[3-(6-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine?
1-[3-(6-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine has a molecular weight of 239.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine is sourced from PubChem (CID 173134828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).