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

C21H25NO — CID 10380513

IUPAC1'-(3-phenylpropyl)spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1ccc(CCCN2CCC3(CC2)OCc2ccccc23)cc1
InChIInChI=1S/C21H25NO/c1-2-7-18(8-3-1)9-6-14-22-15-12-21(13-16-22)20-11-5-4-10-19(20)17-23-21/h1-5,7-8,10-11H,6,9,12-17H2
InChIKeyOKYMAHKMFAOGDT-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.14
Rot. Bonds4

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

1'-(3-phenylpropyl)spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 10380513) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 1'-(3-phenylpropyl)spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-(3-phenylpropyl)spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID10380513
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name1'-(3-phenylpropyl)spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1ccc(CCCN2CCC3(CC2)OCc2ccccc23)cc1
InChIInChI=1S/C21H25NO/c1-2-7-18(8-3-1)9-6-14-22-15-12-21(13-16-22)20-11-5-4-10-19(20)17-23-21/h1-5,7-8,10-11H,6,9,12-17H2
InChIKeyOKYMAHKMFAOGDT-UHFFFAOYSA-N
XLogP4.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-phenylpropyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-(3-phenylpropyl)spiro[1H-2-benzofuran-3,4'-piperidine] (CID 10380513) is 1'-(3-phenylpropyl)spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-(3-phenylpropyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-(3-phenylpropyl)spiro[1H-2-benzofuran-3,4'-piperidine] is c1ccc(CCCN2CCC3(CC2)OCc2ccccc23)cc1.
What is the InChIKey of 1'-(3-phenylpropyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is OKYMAHKMFAOGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-2-7-18(8-3-1)9-6-14-22-15-12-21(13-16-22)20-11-5-4-10-19(20)17-23-21/h1-5,7-8,10-11H,6,9,12-17H2.
What are the key properties of 1'-(3-phenylpropyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
1'-(3-phenylpropyl)spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 307.44 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-phenylpropyl)spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 10380513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).