[4-[(Z)-[(3Z)-3-[(4-piperidin-1-ylphenyl)methylidene]-2-benzofuran-1-ylidene]methyl]phenyl]methanol

C28H27NO2 — CID 132598079

IUPAC[4-[(Z)-[(3Z)-3-[(4-piperidin-1-ylphenyl)methylidene]-2-benzofuran-1-ylidene]methyl]phenyl]methanol
SMILESOCc1ccc(/C=c2\o/c(=C\c3ccc(N4CCCCC4)cc3)c3ccccc23)cc1
InChIInChI=1S/C28H27NO2/c30-20-23-10-8-21(9-11-23)18-27-25-6-2-3-7-26(25)28(31-27)19-22-12-14-24(15-13-22)29-16-4-1-5-17-29/h2-3,6-15,18-19,30H,1,4-5,16-17,20H2/b27-18-,28-19-
InChIKeyMMENPQWHSOGSDJ-XROAYDFBSA-N
MW409.53 g/mol
LogP4.57
Rot. Bonds4

About [4-[(Z)-[(3Z)-3-[(4-piperidin-1-ylphenyl)methylidene]-2-benzofuran-1-ylidene]methyl]phenyl]methanol

[4-[(Z)-[(3Z)-3-[(4-piperidin-1-ylphenyl)methylidene]-2-benzofuran-1-ylidene]methyl]phenyl]methanol (PubChem CID 132598079) has the molecular formula C28H27NO2 and a molecular weight of 409.53 g/mol. Its IUPAC name is [4-[(Z)-[(3Z)-3-[(4-piperidin-1-ylphenyl)methylidene]-2-benzofuran-1-ylidene]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(Z)-[(3Z)-3-[(4-piperidin-1-ylphenyl)methylidene]-2-benzofuran-1-ylidene]methyl]phenyl]methanol
PubChem CID132598079
Molecular FormulaC28H27NO2
Molecular Weight409.53 g/mol
Exact Mass409.20
IUPAC Name[4-[(Z)-[(3Z)-3-[(4-piperidin-1-ylphenyl)methylidene]-2-benzofuran-1-ylidene]methyl]phenyl]methanol
SMILESOCc1ccc(/C=c2\o/c(=C\c3ccc(N4CCCCC4)cc3)c3ccccc23)cc1
InChIInChI=1S/C28H27NO2/c30-20-23-10-8-21(9-11-23)18-27-25-6-2-3-7-26(25)28(31-27)19-22-12-14-24(15-13-22)29-16-4-1-5-17-29/h2-3,6-15,18-19,30H,1,4-5,16-17,20H2/b27-18-,28-19-
InChIKeyMMENPQWHSOGSDJ-XROAYDFBSA-N
XLogP4.57
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

(4-morpholin-4-ylphenyl)methanol
CID 2776456
3-(4-piperidin-1-ylphenyl)prop-2-en-1-ol
CID 169454389
(5E)-3-phenyl-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 2177673
1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine
CID 56975979
(3-pyrrolidin-1-ylphenyl)methanol
CID 7162062
[2-[(4-pyrrolidin-1-ylphenyl)methylamino]phenyl]methanol
CID 43790512
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
ethane;methanol;1-phenylpiperidine
CID 177175072
(4-thiomorpholin-4-ylphenyl)methanol
CID 20684072
[4-(1,3-dihydroisoindol-2-yl)phenyl]methanol
CID 62206101
[4-(3-bromopiperidin-1-yl)phenyl]methanol
CID 66778806
[4-(4-methylazepan-1-yl)phenyl]methanol
CID 63622804

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[(3Z)-3-[(4-piperidin-1-ylphenyl)methylidene]-2-benzofuran-1-ylidene]methyl]phenyl]methanol?
The IUPAC name of [4-[(Z)-[(3Z)-3-[(4-piperidin-1-ylphenyl)methylidene]-2-benzofuran-1-ylidene]methyl]phenyl]methanol (CID 132598079) is [4-[(Z)-[(3Z)-3-[(4-piperidin-1-ylphenyl)methylidene]-2-benzofuran-1-ylidene]methyl]phenyl]methanol.
What is the SMILES notation for [4-[(Z)-[(3Z)-3-[(4-piperidin-1-ylphenyl)methylidene]-2-benzofuran-1-ylidene]methyl]phenyl]methanol?
The canonical SMILES for [4-[(Z)-[(3Z)-3-[(4-piperidin-1-ylphenyl)methylidene]-2-benzofuran-1-ylidene]methyl]phenyl]methanol is OCc1ccc(/C=c2\o/c(=C\c3ccc(N4CCCCC4)cc3)c3ccccc23)cc1.
What is the InChIKey of [4-[(Z)-[(3Z)-3-[(4-piperidin-1-ylphenyl)methylidene]-2-benzofuran-1-ylidene]methyl]phenyl]methanol?
The InChIKey is MMENPQWHSOGSDJ-XROAYDFBSA-N. The full InChI is InChI=1S/C28H27NO2/c30-20-23-10-8-21(9-11-23)18-27-25-6-2-3-7-26(25)28(31-27)19-22-12-14-24(15-13-22)29-16-4-1-5-17-29/h2-3,6-15,18-19,30H,1,4-5,16-17,20H2/b27-18-,28-19-.
What are the key properties of [4-[(Z)-[(3Z)-3-[(4-piperidin-1-ylphenyl)methylidene]-2-benzofuran-1-ylidene]methyl]phenyl]methanol?
[4-[(Z)-[(3Z)-3-[(4-piperidin-1-ylphenyl)methylidene]-2-benzofuran-1-ylidene]methyl]phenyl]methanol has a molecular weight of 409.53 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[(3Z)-3-[(4-piperidin-1-ylphenyl)methylidene]-2-benzofuran-1-ylidene]methyl]phenyl]methanol is sourced from PubChem (CID 132598079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).