(3Z)-3-(furan-3-ylmethylidene)-1-tritylpiperidin-4-ol

C29H27NO2 — CID 68764773

IUPAC(3Z)-3-(furan-3-ylmethylidene)-1-tritylpiperidin-4-ol
SMILESOC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C/C1=C/c1ccoc1
InChIInChI=1S/C29H27NO2/c31-28-16-18-30(21-24(28)20-23-17-19-32-22-23)29(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,17,19-20,22,28,31H,16,18,21H2/b24-20-
InChIKeyCEEKTUBZLFCCNR-GFMRDNFCSA-N
MW421.54 g/mol
LogP5.72
Rot. Bonds5

About (3Z)-3-(furan-3-ylmethylidene)-1-tritylpiperidin-4-ol

(3Z)-3-(furan-3-ylmethylidene)-1-tritylpiperidin-4-ol (PubChem CID 68764773) has the molecular formula C29H27NO2 and a molecular weight of 421.54 g/mol. Its IUPAC name is (3Z)-3-(furan-3-ylmethylidene)-1-tritylpiperidin-4-ol.

Molecular Properties

Compound Name(3Z)-3-(furan-3-ylmethylidene)-1-tritylpiperidin-4-ol
PubChem CID68764773
Molecular FormulaC29H27NO2
Molecular Weight421.54 g/mol
Exact Mass421.20
IUPAC Name(3Z)-3-(furan-3-ylmethylidene)-1-tritylpiperidin-4-ol
SMILESOC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C/C1=C/c1ccoc1
InChIInChI=1S/C29H27NO2/c31-28-16-18-30(21-24(28)20-23-17-19-32-22-23)29(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,17,19-20,22,28,31H,16,18,21H2/b24-20-
InChIKeyCEEKTUBZLFCCNR-GFMRDNFCSA-N
XLogP5.72
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-benzylidene-1-tritylpiperidin-4-ol;S-[(3E)-3-(furan-3-ylmethylidene)piperidin-4-yl] ethanethioate;hydrochloride
CID 159813400
(3Z)-3-(1H-pyrazol-4-ylmethylidene)-1-tritylpiperidin-4-ol
CID 68769099
(3Z)-3-[(1-methylpyrazol-3-yl)methylidene]-1-tritylpiperidin-4-ol
CID 68763992
(3E)-3-[(6-methyl-2-pyridinyl)methylidene]-1-tritylpiperidin-4-ol
CID 68764878
3-(2-piperidin-1-ylethylidene)-1-tritylpiperidin-4-ol
CID 69024962
ethyl 2-[4-[(Z)-(4-hydroxy-1-tritylpiperidin-3-ylidene)methyl]pyrazol-1-yl]acetate
CID 68766794
ethyl 2-[2-[(E)-(4-hydroxy-1-tritylpiperidin-3-ylidene)methyl]pyrrol-1-yl]acetate
CID 23138761
tert-butyl 3-[(E)-(4-hydroxy-1-tritylpiperidin-3-ylidene)methyl]-1,2,4-triazole-1-carboxylate
CID 23139089
3-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]methylidene]-1-tritylpiperidin-4-ol
CID 68769805
ethyl 4-[4-[(E)-(4-hydroxy-1-tritylpiperidin-3-ylidene)methyl]pyrazol-1-yl]butanoate;hydrochloride
CID 162313785
(3Z)-3-[[1-(1,3-thiazol-4-ylmethyl)pyrazol-3-yl]methylidene]-1-tritylpiperidin-4-ol
CID 68768104
ethyl 4-[5-[(Z)-(4-hydroxy-1-tritylpiperidin-3-ylidene)methyl]tetrazol-2-yl]butanoate
CID 68766284

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(furan-3-ylmethylidene)-1-tritylpiperidin-4-ol?
The IUPAC name of (3Z)-3-(furan-3-ylmethylidene)-1-tritylpiperidin-4-ol (CID 68764773) is (3Z)-3-(furan-3-ylmethylidene)-1-tritylpiperidin-4-ol.
What is the SMILES notation for (3Z)-3-(furan-3-ylmethylidene)-1-tritylpiperidin-4-ol?
The canonical SMILES for (3Z)-3-(furan-3-ylmethylidene)-1-tritylpiperidin-4-ol is OC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C/C1=C/c1ccoc1.
What is the InChIKey of (3Z)-3-(furan-3-ylmethylidene)-1-tritylpiperidin-4-ol?
The InChIKey is CEEKTUBZLFCCNR-GFMRDNFCSA-N. The full InChI is InChI=1S/C29H27NO2/c31-28-16-18-30(21-24(28)20-23-17-19-32-22-23)29(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,17,19-20,22,28,31H,16,18,21H2/b24-20-.
What are the key properties of (3Z)-3-(furan-3-ylmethylidene)-1-tritylpiperidin-4-ol?
(3Z)-3-(furan-3-ylmethylidene)-1-tritylpiperidin-4-ol has a molecular weight of 421.54 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(furan-3-ylmethylidene)-1-tritylpiperidin-4-ol is sourced from PubChem (CID 68764773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).