1'-(6-phenylhexyl)spiro[1H-2-benzofuran-3,4'-piperidine]

C24H31NO — CID 10315820

IUPAC1'-(6-phenylhexyl)spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1ccc(CCCCCCN2CCC3(CC2)OCc2ccccc23)cc1
InChIInChI=1S/C24H31NO/c1(4-10-21-11-5-3-6-12-21)2-9-17-25-18-15-24(16-19-25)23-14-8-7-13-22(23)20-26-24/h3,5-8,11-14H,1-2,4,9-10,15-20H2
InChIKeyHFNCIQLAPWEKMQ-UHFFFAOYSA-N
MW349.52 g/mol
LogP5.31
Rot. Bonds7

About 1'-(6-phenylhexyl)spiro[1H-2-benzofuran-3,4'-piperidine]

1'-(6-phenylhexyl)spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 10315820) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is 1'-(6-phenylhexyl)spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-(6-phenylhexyl)spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID10315820
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name1'-(6-phenylhexyl)spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1ccc(CCCCCCN2CCC3(CC2)OCc2ccccc23)cc1
InChIInChI=1S/C24H31NO/c1(4-10-21-11-5-3-6-12-21)2-9-17-25-18-15-24(16-19-25)23-14-8-7-13-22(23)20-26-24/h3,5-8,11-14H,1-2,4,9-10,15-20H2
InChIKeyHFNCIQLAPWEKMQ-UHFFFAOYSA-N
XLogP5.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 55.31
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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Related Compounds

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Talopram
CID 23573
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CID 3929516

Frequently Asked Questions

What is the IUPAC name of 1'-(6-phenylhexyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-(6-phenylhexyl)spiro[1H-2-benzofuran-3,4'-piperidine] (CID 10315820) is 1'-(6-phenylhexyl)spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-(6-phenylhexyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-(6-phenylhexyl)spiro[1H-2-benzofuran-3,4'-piperidine] is c1ccc(CCCCCCN2CCC3(CC2)OCc2ccccc23)cc1.
What is the InChIKey of 1'-(6-phenylhexyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is HFNCIQLAPWEKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c1(4-10-21-11-5-3-6-12-21)2-9-17-25-18-15-24(16-19-25)23-14-8-7-13-22(23)20-26-24/h3,5-8,11-14H,1-2,4,9-10,15-20H2.
What are the key properties of 1'-(6-phenylhexyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
1'-(6-phenylhexyl)spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 349.52 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(6-phenylhexyl)spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 10315820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).