1-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]piperidine

C18H27NO2 — CID 16728418

IUPAC1-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]piperidine
SMILESCC1(C)Cc2cccc(OCCCN3CCCCC3)c2O1
InChIInChI=1S/C18H27NO2/c1-18(2)14-15-8-6-9-16(17(15)21-18)20-13-7-12-19-10-4-3-5-11-19/h6,8-9H,3-5,7,10-14H2,1-2H3
InChIKeyLSKWWIOMLXMQOJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.65
Rot. Bonds5

About 1-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]piperidine

1-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]piperidine (PubChem CID 16728418) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]piperidine
PubChem CID16728418
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]piperidine
SMILESCC1(C)Cc2cccc(OCCCN3CCCCC3)c2O1
InChIInChI=1S/C18H27NO2/c1-18(2)14-15-8-6-9-16(17(15)21-18)20-13-7-12-19-10-4-3-5-11-19/h6,8-9H,3-5,7,10-14H2,1-2H3
InChIKeyLSKWWIOMLXMQOJ-UHFFFAOYSA-N
XLogP3.65
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.65
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-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]piperidine?
The IUPAC name of 1-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]piperidine (CID 16728418) is 1-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]piperidine?
The canonical SMILES for 1-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]piperidine is CC1(C)Cc2cccc(OCCCN3CCCCC3)c2O1.
What is the InChIKey of 1-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]piperidine?
The InChIKey is LSKWWIOMLXMQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-18(2)14-15-8-6-9-16(17(15)21-18)20-13-7-12-19-10-4-3-5-11-19/h6,8-9H,3-5,7,10-14H2,1-2H3.
What are the key properties of 1-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]piperidine?
1-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]piperidine has a molecular weight of 289.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]piperidine is sourced from PubChem (CID 16728418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).