(1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol

C18H25NO2 — CID 5293868

IUPAC(1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol
SMILESCCC(C)(O)/C=C1/Oc2ccccc2C1N1CCCCC1
InChIInChI=1S/C18H25NO2/c1-3-18(2,20)13-16-17(19-11-7-4-8-12-19)14-9-5-6-10-15(14)21-16/h5-6,9-10,13,17,20H,3-4,7-8,11-12H2,1-2H3/b16-13+
InChIKeyCAERQMOSJKWWFL-DTQAZKPQSA-N
MW287.40 g/mol
LogP3.65
Rot. Bonds3

About (1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol

(1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol (PubChem CID 5293868) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol.

Molecular Properties

Compound Name(1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol
PubChem CID5293868
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol
SMILESCCC(C)(O)/C=C1/Oc2ccccc2C1N1CCCCC1
InChIInChI=1S/C18H25NO2/c1-3-18(2,20)13-16-17(19-11-7-4-8-12-19)14-9-5-6-10-15(14)21-16/h5-6,9-10,13,17,20H,3-4,7-8,11-12H2,1-2H3/b16-13+
InChIKeyCAERQMOSJKWWFL-DTQAZKPQSA-N
XLogP3.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol?
The IUPAC name of (1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol (CID 5293868) is (1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol.
What is the SMILES notation for (1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol?
The canonical SMILES for (1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol is CCC(C)(O)/C=C1/Oc2ccccc2C1N1CCCCC1.
What is the InChIKey of (1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol?
The InChIKey is CAERQMOSJKWWFL-DTQAZKPQSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-18(2,20)13-16-17(19-11-7-4-8-12-19)14-9-5-6-10-15(14)21-16/h5-6,9-10,13,17,20H,3-4,7-8,11-12H2,1-2H3/b16-13+.
What are the key properties of (1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol?
(1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol has a molecular weight of 287.40 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol is sourced from PubChem (CID 5293868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).