1-methyl-4-(6-methyl-2-benzofuran-1-yl)piperidine

C15H19NO — CID 57298342

IUPAC1-methyl-4-(6-methyl-2-benzofuran-1-yl)piperidine
SMILESCc1ccc2coc(C3CCN(C)CC3)c2c1
InChIInChI=1S/C15H19NO/c1-11-3-4-13-10-17-15(14(13)9-11)12-5-7-16(2)8-6-12/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyVASWXIJRNJHDNR-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.55
Rot. Bonds1

About 1-methyl-4-(6-methyl-2-benzofuran-1-yl)piperidine

1-methyl-4-(6-methyl-2-benzofuran-1-yl)piperidine (PubChem CID 57298342) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-methyl-4-(6-methyl-2-benzofuran-1-yl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(6-methyl-2-benzofuran-1-yl)piperidine
PubChem CID57298342
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-methyl-4-(6-methyl-2-benzofuran-1-yl)piperidine
SMILESCc1ccc2coc(C3CCN(C)CC3)c2c1
InChIInChI=1S/C15H19NO/c1-11-3-4-13-10-17-15(14(13)9-11)12-5-7-16(2)8-6-12/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyVASWXIJRNJHDNR-UHFFFAOYSA-N
XLogP3.55
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 9928332
(2-Benzofuran-6-yl-ethyl)-((S)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 44313303
3-Benzofuran-3-yl-1-aza-bicyclo[2.2.2]oct-2-ene
CID 10466231
4-(1-benzofuran-7-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68993720
4-(1-benzofuran-3-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68995928
4-(1-benzofuran-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68996260
3-(2-Furanyl)-3-(4-methylphenyl)-1-(4-morpholinyl)-1-propanone
CID 2954977
3-[3-(4-Ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene
CID 10660333
3-[3-(3-Ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene
CID 10707802
(3S,4S)-methyl 4-(4-(furan-2-yl)phenyl)-1-methylpiperidine-3-carboxylate
CID 44416866
1-[3-(1-Benzofuran-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride
CID 57402889
4-(1-Benzofuran-3-yl)-1-propylpiperidine
CID 71452519

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(6-methyl-2-benzofuran-1-yl)piperidine?
The IUPAC name of 1-methyl-4-(6-methyl-2-benzofuran-1-yl)piperidine (CID 57298342) is 1-methyl-4-(6-methyl-2-benzofuran-1-yl)piperidine.
What is the SMILES notation for 1-methyl-4-(6-methyl-2-benzofuran-1-yl)piperidine?
The canonical SMILES for 1-methyl-4-(6-methyl-2-benzofuran-1-yl)piperidine is Cc1ccc2coc(C3CCN(C)CC3)c2c1.
What is the InChIKey of 1-methyl-4-(6-methyl-2-benzofuran-1-yl)piperidine?
The InChIKey is VASWXIJRNJHDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-3-4-13-10-17-15(14(13)9-11)12-5-7-16(2)8-6-12/h3-4,9-10,12H,5-8H2,1-2H3.
What are the key properties of 1-methyl-4-(6-methyl-2-benzofuran-1-yl)piperidine?
1-methyl-4-(6-methyl-2-benzofuran-1-yl)piperidine has a molecular weight of 229.32 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(6-methyl-2-benzofuran-1-yl)piperidine is sourced from PubChem (CID 57298342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).