1'-(5-phenylpentyl)spiro[1H-2-benzofuran-3,4'-piperidine]

C23H29NO — CID 10359602

IUPAC1'-(5-phenylpentyl)spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1ccc(CCCCCN2CCC3(CC2)OCc2ccccc23)cc1
InChIInChI=1S/C23H29NO/c1-3-9-20(10-4-1)11-5-2-8-16-24-17-14-23(15-18-24)22-13-7-6-12-21(22)19-25-23/h1,3-4,6-7,9-10,12-13H,2,5,8,11,14-19H2
InChIKeyYSJLXBWDINEFMB-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.92
Rot. Bonds6

About 1'-(5-phenylpentyl)spiro[1H-2-benzofuran-3,4'-piperidine]

1'-(5-phenylpentyl)spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 10359602) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 1'-(5-phenylpentyl)spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-(5-phenylpentyl)spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID10359602
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name1'-(5-phenylpentyl)spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1ccc(CCCCCN2CCC3(CC2)OCc2ccccc23)cc1
InChIInChI=1S/C23H29NO/c1-3-9-20(10-4-1)11-5-2-8-16-24-17-14-23(15-18-24)22-13-7-6-12-21(22)19-25-23/h1,3-4,6-7,9-10,12-13H,2,5,8,11,14-19H2
InChIKeyYSJLXBWDINEFMB-UHFFFAOYSA-N
XLogP4.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.92
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'-(5-phenylpentyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-(5-phenylpentyl)spiro[1H-2-benzofuran-3,4'-piperidine] (CID 10359602) is 1'-(5-phenylpentyl)spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-(5-phenylpentyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-(5-phenylpentyl)spiro[1H-2-benzofuran-3,4'-piperidine] is c1ccc(CCCCCN2CCC3(CC2)OCc2ccccc23)cc1.
What is the InChIKey of 1'-(5-phenylpentyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is YSJLXBWDINEFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-3-9-20(10-4-1)11-5-2-8-16-24-17-14-23(15-18-24)22-13-7-6-12-21(22)19-25-23/h1,3-4,6-7,9-10,12-13H,2,5,8,11,14-19H2.
What are the key properties of 1'-(5-phenylpentyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
1'-(5-phenylpentyl)spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 335.49 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-phenylpentyl)spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 10359602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).