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

C14H19NO — CID 10036300

IUPAC1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCCN1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C14H19NO/c1-2-15-9-7-14(8-10-15)13-6-4-3-5-12(13)11-16-14/h3-6H,2,7-11H2,1H3
InChIKeyAFLMEDLZIJGAKF-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.53
Rot. Bonds1

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

1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 10036300) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID10036300
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCCN1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C14H19NO/c1-2-15-9-7-14(8-10-15)13-6-4-3-5-12(13)11-16-14/h3-6H,2,7-11H2,1H3
InChIKeyAFLMEDLZIJGAKF-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine] (CID 10036300) is 1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine] is CCN1CCC2(CC1)OCc1ccccc12.
What is the InChIKey of 1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is AFLMEDLZIJGAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-15-9-7-14(8-10-15)13-6-4-3-5-12(13)11-16-14/h3-6H,2,7-11H2,1H3.
What are the key properties of 1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine]?
1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 217.31 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 10036300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).