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

C17H23NO2 — CID 5389139

IUPAC(1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)propan-2-ol
SMILESCC(C)(O)/C=C1/Oc2ccccc2C1N1CCCCC1
InChIInChI=1S/C17H23NO2/c1-17(2,19)12-15-16(18-10-6-3-7-11-18)13-8-4-5-9-14(13)20-15/h4-5,8-9,12,16,19H,3,6-7,10-11H2,1-2H3/b15-12+
InChIKeyVZSSZJYATKYRAM-NTCAYCPXSA-N
MW273.38 g/mol
LogP3.26
Rot. Bonds2

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

(1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)propan-2-ol (PubChem CID 5389139) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)propan-2-ol.

Molecular Properties

Compound Name(1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)propan-2-ol
PubChem CID5389139
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)propan-2-ol
SMILESCC(C)(O)/C=C1/Oc2ccccc2C1N1CCCCC1
InChIInChI=1S/C17H23NO2/c1-17(2,19)12-15-16(18-10-6-3-7-11-18)13-8-4-5-9-14(13)20-15/h4-5,8-9,12,16,19H,3,6-7,10-11H2,1-2H3/b15-12+
InChIKeyVZSSZJYATKYRAM-NTCAYCPXSA-N
XLogP3.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.26
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)propan-2-ol?
The IUPAC name of (1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)propan-2-ol (CID 5389139) is (1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)propan-2-ol.
What is the SMILES notation for (1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)propan-2-ol?
The canonical SMILES for (1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)propan-2-ol is CC(C)(O)/C=C1/Oc2ccccc2C1N1CCCCC1.
What is the InChIKey of (1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)propan-2-ol?
The InChIKey is VZSSZJYATKYRAM-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17(2,19)12-15-16(18-10-6-3-7-11-18)13-8-4-5-9-14(13)20-15/h4-5,8-9,12,16,19H,3,6-7,10-11H2,1-2H3/b15-12+.
What are the key properties of (1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)propan-2-ol?
(1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)propan-2-ol has a molecular weight of 273.38 g/mol, XLogP of 3.26, 2 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)propan-2-ol is sourced from PubChem (CID 5389139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).