4-(3,3-dimethyl-2H-1-benzofuran-5-yl)piperidine

C15H21NO — CID 82390529

IUPAC4-(3,3-dimethyl-2H-1-benzofuran-5-yl)piperidine
SMILESCC1(C)COc2ccc(C3CCNCC3)cc21
InChIInChI=1S/C15H21NO/c1-15(2)10-17-14-4-3-12(9-13(14)15)11-5-7-16-8-6-11/h3-4,9,11,16H,5-8,10H2,1-2H3
InChIKeyHATFVPHPVYHPCC-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.82
Rot. Bonds1

About 4-(3,3-dimethyl-2H-1-benzofuran-5-yl)piperidine

4-(3,3-dimethyl-2H-1-benzofuran-5-yl)piperidine (PubChem CID 82390529) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(3,3-dimethyl-2H-1-benzofuran-5-yl)piperidine.

Molecular Properties

Compound Name4-(3,3-dimethyl-2H-1-benzofuran-5-yl)piperidine
PubChem CID82390529
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-(3,3-dimethyl-2H-1-benzofuran-5-yl)piperidine
SMILESCC1(C)COc2ccc(C3CCNCC3)cc21
InChIInChI=1S/C15H21NO/c1-15(2)10-17-14-4-3-12(9-13(14)15)11-5-7-16-8-6-11/h3-4,9,11,16H,5-8,10H2,1-2H3
InChIKeyHATFVPHPVYHPCC-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,3-dimethyl-2H-1-benzofuran-5-yl)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 4-(3,3-dimethyl-2H-1-benzofuran-5-yl)piperidine?
The IUPAC name of 4-(3,3-dimethyl-2H-1-benzofuran-5-yl)piperidine (CID 82390529) is 4-(3,3-dimethyl-2H-1-benzofuran-5-yl)piperidine.
What is the SMILES notation for 4-(3,3-dimethyl-2H-1-benzofuran-5-yl)piperidine?
The canonical SMILES for 4-(3,3-dimethyl-2H-1-benzofuran-5-yl)piperidine is CC1(C)COc2ccc(C3CCNCC3)cc21.
What is the InChIKey of 4-(3,3-dimethyl-2H-1-benzofuran-5-yl)piperidine?
The InChIKey is HATFVPHPVYHPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(2)10-17-14-4-3-12(9-13(14)15)11-5-7-16-8-6-11/h3-4,9,11,16H,5-8,10H2,1-2H3.
What are the key properties of 4-(3,3-dimethyl-2H-1-benzofuran-5-yl)piperidine?
4-(3,3-dimethyl-2H-1-benzofuran-5-yl)piperidine has a molecular weight of 231.34 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethyl-2H-1-benzofuran-5-yl)piperidine is sourced from PubChem (CID 82390529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).