1-[3-[4-(furan-2-yl)phenoxy]propyl]piperidine

C18H23NO2 — CID 56678653

IUPAC1-[3-[4-(furan-2-yl)phenoxy]propyl]piperidine
SMILESc1coc(-c2ccc(OCCCN3CCCCC3)cc2)c1
InChIInChI=1S/C18H23NO2/c1-2-11-19(12-3-1)13-5-15-20-17-9-7-16(8-10-17)18-6-4-14-21-18/h4,6-10,14H,1-3,5,11-13,15H2
InChIKeyWZSXQZNHMKLIIQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.20
Rot. Bonds6

About 1-[3-[4-(furan-2-yl)phenoxy]propyl]piperidine

1-[3-[4-(furan-2-yl)phenoxy]propyl]piperidine (PubChem CID 56678653) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[3-[4-(furan-2-yl)phenoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-(furan-2-yl)phenoxy]propyl]piperidine
PubChem CID56678653
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[3-[4-(furan-2-yl)phenoxy]propyl]piperidine
SMILESc1coc(-c2ccc(OCCCN3CCCCC3)cc2)c1
InChIInChI=1S/C18H23NO2/c1-2-11-19(12-3-1)13-5-15-20-17-9-7-16(8-10-17)18-6-4-14-21-18/h4,6-10,14H,1-3,5,11-13,15H2
InChIKeyWZSXQZNHMKLIIQ-UHFFFAOYSA-N
XLogP4.20
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[4-(furan-2-yl)phenoxy]propyl]piperidine?
The IUPAC name of 1-[3-[4-(furan-2-yl)phenoxy]propyl]piperidine (CID 56678653) is 1-[3-[4-(furan-2-yl)phenoxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[4-(furan-2-yl)phenoxy]propyl]piperidine?
The canonical SMILES for 1-[3-[4-(furan-2-yl)phenoxy]propyl]piperidine is c1coc(-c2ccc(OCCCN3CCCCC3)cc2)c1.
What is the InChIKey of 1-[3-[4-(furan-2-yl)phenoxy]propyl]piperidine?
The InChIKey is WZSXQZNHMKLIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-11-19(12-3-1)13-5-15-20-17-9-7-16(8-10-17)18-6-4-14-21-18/h4,6-10,14H,1-3,5,11-13,15H2.
What are the key properties of 1-[3-[4-(furan-2-yl)phenoxy]propyl]piperidine?
1-[3-[4-(furan-2-yl)phenoxy]propyl]piperidine has a molecular weight of 285.39 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(furan-2-yl)phenoxy]propyl]piperidine is sourced from PubChem (CID 56678653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).