1-(3-cyclohexa-1,3-dien-1-yloxypropyl)piperidine

C14H23NO — CID 141109596

IUPAC1-(3-cyclohexa-1,3-dien-1-yloxypropyl)piperidine
SMILESC1=CCCC(OCCCN2CCCCC2)=C1
InChIInChI=1S/C14H23NO/c1-3-8-14(9-4-1)16-13-7-12-15-10-5-2-6-11-15/h1,3,8H,2,4-7,9-13H2
InChIKeyFVZODCYMRXXAAB-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.11
Rot. Bonds5

About 1-(3-cyclohexa-1,3-dien-1-yloxypropyl)piperidine

1-(3-cyclohexa-1,3-dien-1-yloxypropyl)piperidine (PubChem CID 141109596) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(3-cyclohexa-1,3-dien-1-yloxypropyl)piperidine.

Molecular Properties

Compound Name1-(3-cyclohexa-1,3-dien-1-yloxypropyl)piperidine
PubChem CID141109596
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(3-cyclohexa-1,3-dien-1-yloxypropyl)piperidine
SMILESC1=CCCC(OCCCN2CCCCC2)=C1
InChIInChI=1S/C14H23NO/c1-3-8-14(9-4-1)16-13-7-12-15-10-5-2-6-11-15/h1,3,8H,2,4-7,9-13H2
InChIKeyFVZODCYMRXXAAB-UHFFFAOYSA-N
XLogP3.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.11
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-cyclohexa-1,3-dien-1-yloxypropyl)piperidine?
The IUPAC name of 1-(3-cyclohexa-1,3-dien-1-yloxypropyl)piperidine (CID 141109596) is 1-(3-cyclohexa-1,3-dien-1-yloxypropyl)piperidine.
What is the SMILES notation for 1-(3-cyclohexa-1,3-dien-1-yloxypropyl)piperidine?
The canonical SMILES for 1-(3-cyclohexa-1,3-dien-1-yloxypropyl)piperidine is C1=CCCC(OCCCN2CCCCC2)=C1.
What is the InChIKey of 1-(3-cyclohexa-1,3-dien-1-yloxypropyl)piperidine?
The InChIKey is FVZODCYMRXXAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-8-14(9-4-1)16-13-7-12-15-10-5-2-6-11-15/h1,3,8H,2,4-7,9-13H2.
What are the key properties of 1-(3-cyclohexa-1,3-dien-1-yloxypropyl)piperidine?
1-(3-cyclohexa-1,3-dien-1-yloxypropyl)piperidine has a molecular weight of 221.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexa-1,3-dien-1-yloxypropyl)piperidine is sourced from PubChem (CID 141109596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).