1-(1-benzofuran-2-yl)-2-methyl-2-piperidin-1-ylbutan-1-ol

C18H25NO2 — CID 114726874

IUPAC1-(1-benzofuran-2-yl)-2-methyl-2-piperidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)c1cc2ccccc2o1)N1CCCCC1
InChIInChI=1S/C18H25NO2/c1-3-18(2,19-11-7-4-8-12-19)17(20)16-13-14-9-5-6-10-15(14)21-16/h5-6,9-10,13,17,20H,3-4,7-8,11-12H2,1-2H3
InChIKeyHZEONIOCIOSVMA-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.12
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-methyl-2-piperidin-1-ylbutan-1-ol

1-(1-benzofuran-2-yl)-2-methyl-2-piperidin-1-ylbutan-1-ol (PubChem CID 114726874) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-methyl-2-piperidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-methyl-2-piperidin-1-ylbutan-1-ol
PubChem CID114726874
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-(1-benzofuran-2-yl)-2-methyl-2-piperidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)c1cc2ccccc2o1)N1CCCCC1
InChIInChI=1S/C18H25NO2/c1-3-18(2,19-11-7-4-8-12-19)17(20)16-13-14-9-5-6-10-15(14)21-16/h5-6,9-10,13,17,20H,3-4,7-8,11-12H2,1-2H3
InChIKeyHZEONIOCIOSVMA-UHFFFAOYSA-N
XLogP4.12
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79069250
1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79069176
1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79064831
1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 106645115
2-(azepan-1-yl)-2-(1-benzofuran-2-yl)ethanamine
CID 63897883
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79704324
1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-ol
CID 114726568
2-methyl-1-(5-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-ol
CID 115374171
1-(1-benzofuran-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanol
CID 62123428
1-benzofuran-2-yl-(2-methylcyclopentyl)methanol
CID 107192946
2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylbutan-1-ol
CID 79068633
1-benzofuran-2-yl(cyclohexyl)methanol
CID 63090422

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-methyl-2-piperidin-1-ylbutan-1-ol?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-methyl-2-piperidin-1-ylbutan-1-ol (CID 114726874) is 1-(1-benzofuran-2-yl)-2-methyl-2-piperidin-1-ylbutan-1-ol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-methyl-2-piperidin-1-ylbutan-1-ol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-methyl-2-piperidin-1-ylbutan-1-ol is CCC(C)(C(O)c1cc2ccccc2o1)N1CCCCC1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-methyl-2-piperidin-1-ylbutan-1-ol?
The InChIKey is HZEONIOCIOSVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-18(2,19-11-7-4-8-12-19)17(20)16-13-14-9-5-6-10-15(14)21-16/h5-6,9-10,13,17,20H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-methyl-2-piperidin-1-ylbutan-1-ol?
1-(1-benzofuran-2-yl)-2-methyl-2-piperidin-1-ylbutan-1-ol has a molecular weight of 287.40 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-methyl-2-piperidin-1-ylbutan-1-ol is sourced from PubChem (CID 114726874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).