1'-octoxyspiro[2H-1-benzofuran-3,4'-piperidine]

C20H31NO2 — CID 154235996

IUPAC1'-octoxyspiro[2H-1-benzofuran-3,4'-piperidine]
SMILESCCCCCCCCON1CCC2(CC1)COc1ccccc12
InChIInChI=1S/C20H31NO2/c1-2-3-4-5-6-9-16-23-21-14-12-20(13-15-21)17-22-19-11-8-7-10-18(19)20/h7-8,10-11H,2-6,9,12-17H2,1H3
InChIKeyFORQXSBKSUHZRN-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.70
Rot. Bonds8

About 1'-octoxyspiro[2H-1-benzofuran-3,4'-piperidine]

1'-octoxyspiro[2H-1-benzofuran-3,4'-piperidine] (PubChem CID 154235996) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 1'-octoxyspiro[2H-1-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-octoxyspiro[2H-1-benzofuran-3,4'-piperidine]
PubChem CID154235996
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name1'-octoxyspiro[2H-1-benzofuran-3,4'-piperidine]
SMILESCCCCCCCCON1CCC2(CC1)COc1ccccc12
InChIInChI=1S/C20H31NO2/c1-2-3-4-5-6-9-16-23-21-14-12-20(13-15-21)17-22-19-11-8-7-10-18(19)20/h7-8,10-11H,2-6,9,12-17H2,1H3
InChIKeyFORQXSBKSUHZRN-UHFFFAOYSA-N
XLogP4.70
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.70
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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Related Compounds

2-Isopropylphenyl 4-(1-piperidinyl)butyl ether
CID 1825301
2-Isopropylphenyl 5-(4-morpholinyl)pentyl ether
CID 1825303
1-[2-(2-Tert-butylphenoxy)ethyl]pyrrolidine
CID 867326
1-[4-(2-Methylphenoxy)butyl]piperidine
CID 2057322
1-[3-[4-(2-Methylbutan-2-yl)phenoxy]propyl]piperidine
CID 11964510
4-(2-Methoxyphenyl)-1-propylpiperidine
CID 71653734
1-{4-[4-(1,1-Dimethylpropyl)phenoxy]butyl}piperidine oxalate
CID 2296540
1-[4-(4-Tert-butyl-2-methylphenoxy)butyl]pyrrolidine
CID 2299518
1-[4-(2-Tert-butyl-5-methylphenoxy)butyl]pyrrolidine
CID 2581864
1-[2-(2-Propan-2-ylphenoxy)ethyl]piperidine;hydrochloride
CID 137652342
3,3-Dimethyl-1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine
CID 155554431
1-(2,3-Dihydro-1-benzofuran-2-ylmethyl)-4-prop-2-enylpiperazine
CID 162649232

Frequently Asked Questions

What is the IUPAC name of 1'-octoxyspiro[2H-1-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-octoxyspiro[2H-1-benzofuran-3,4'-piperidine] (CID 154235996) is 1'-octoxyspiro[2H-1-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-octoxyspiro[2H-1-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-octoxyspiro[2H-1-benzofuran-3,4'-piperidine] is CCCCCCCCON1CCC2(CC1)COc1ccccc12.
What is the InChIKey of 1'-octoxyspiro[2H-1-benzofuran-3,4'-piperidine]?
The InChIKey is FORQXSBKSUHZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-2-3-4-5-6-9-16-23-21-14-12-20(13-15-21)17-22-19-11-8-7-10-18(19)20/h7-8,10-11H,2-6,9,12-17H2,1H3.
What are the key properties of 1'-octoxyspiro[2H-1-benzofuran-3,4'-piperidine]?
1'-octoxyspiro[2H-1-benzofuran-3,4'-piperidine] has a molecular weight of 317.47 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-octoxyspiro[2H-1-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 154235996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).