4-(4,6-dimethyl-1-benzofuran-3-yl)piperidine

C15H19NO — CID 21472067

IUPAC4-(4,6-dimethyl-1-benzofuran-3-yl)piperidine
SMILESCc1cc(C)c2c(C3CCNCC3)coc2c1
InChIInChI=1S/C15H19NO/c1-10-7-11(2)15-13(9-17-14(15)8-10)12-3-5-16-6-4-12/h7-9,12,16H,3-6H2,1-2H3
InChIKeyAXWXCRBIQPGOAK-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.52
Rot. Bonds1

About 4-(4,6-dimethyl-1-benzofuran-3-yl)piperidine

4-(4,6-dimethyl-1-benzofuran-3-yl)piperidine (PubChem CID 21472067) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-(4,6-dimethyl-1-benzofuran-3-yl)piperidine.

Molecular Properties

Compound Name4-(4,6-dimethyl-1-benzofuran-3-yl)piperidine
PubChem CID21472067
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-(4,6-dimethyl-1-benzofuran-3-yl)piperidine
SMILESCc1cc(C)c2c(C3CCNCC3)coc2c1
InChIInChI=1S/C15H19NO/c1-10-7-11(2)15-13(9-17-14(15)8-10)12-3-5-16-6-4-12/h7-9,12,16H,3-6H2,1-2H3
InChIKeyAXWXCRBIQPGOAK-UHFFFAOYSA-N
XLogP3.52
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3,5-trimethylphenyl)piperidine
CID 117292122
3,4,6-trimethyl-2-piperidin-4-yl-1H-indole
CID 84630546
1-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone;hydrochloride
CID 154901400
4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine
CID 117402856
3,4,6-trimethyl-2-pyrrolidin-3-yl-1H-indole
CID 84625643
4-(4,5-dichloro-2-methylphenyl)piperidine
CID 84802563
N-[2-(4,6-dimethyl-1-benzofuran-3-yl)ethyl]cyclopropanamine
CID 81047329
1,4,6-trimethyl-3-piperidin-4-ylindazole;hydrochloride
CID 134494420
2-fluoro-5-methyl-3-piperidin-4-ylphenol
CID 117299013
4-(4-bromo-2,5-dimethylphenyl)piperidine
CID 84808321
2,3,6-trimethyl-4-piperidin-4-ylphenol
CID 117116552
4-[difluoro-(2,4,6-trimethylphenyl)methyl]piperidine
CID 116838804

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethyl-1-benzofuran-3-yl)piperidine?
The IUPAC name of 4-(4,6-dimethyl-1-benzofuran-3-yl)piperidine (CID 21472067) is 4-(4,6-dimethyl-1-benzofuran-3-yl)piperidine.
What is the SMILES notation for 4-(4,6-dimethyl-1-benzofuran-3-yl)piperidine?
The canonical SMILES for 4-(4,6-dimethyl-1-benzofuran-3-yl)piperidine is Cc1cc(C)c2c(C3CCNCC3)coc2c1.
What is the InChIKey of 4-(4,6-dimethyl-1-benzofuran-3-yl)piperidine?
The InChIKey is AXWXCRBIQPGOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-10-7-11(2)15-13(9-17-14(15)8-10)12-3-5-16-6-4-12/h7-9,12,16H,3-6H2,1-2H3.
What are the key properties of 4-(4,6-dimethyl-1-benzofuran-3-yl)piperidine?
4-(4,6-dimethyl-1-benzofuran-3-yl)piperidine has a molecular weight of 229.32 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethyl-1-benzofuran-3-yl)piperidine is sourced from PubChem (CID 21472067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).