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

C15H21NO — CID 10014138

IUPAC1'-propylspiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCCCN1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C15H21NO/c1-2-9-16-10-7-15(8-11-16)14-6-4-3-5-13(14)12-17-15/h3-6H,2,7-12H2,1H3
InChIKeyVECWJSYHBNBEBX-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.92
Rot. Bonds2

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

1'-propylspiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 10014138) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1'-propylspiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-propylspiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID10014138
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1'-propylspiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCCCN1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C15H21NO/c1-2-9-16-10-7-15(8-11-16)14-6-4-3-5-13(14)12-17-15/h3-6H,2,7-12H2,1H3
InChIKeyVECWJSYHBNBEBX-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1'-propylspiro[1H-2-benzofuran-3,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-propylspiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-propylspiro[1H-2-benzofuran-3,4'-piperidine] (CID 10014138) is 1'-propylspiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-propylspiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-propylspiro[1H-2-benzofuran-3,4'-piperidine] is CCCN1CCC2(CC1)OCc1ccccc12.
What is the InChIKey of 1'-propylspiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is VECWJSYHBNBEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-9-16-10-7-15(8-11-16)14-6-4-3-5-13(14)12-17-15/h3-6H,2,7-12H2,1H3.
What are the key properties of 1'-propylspiro[1H-2-benzofuran-3,4'-piperidine]?
1'-propylspiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 231.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propylspiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 10014138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).