(3Z)-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methylidene]-1-tritylpiperidin-4-ol

C34H33N5O2 — CID 23139287

IUPAC(3Z)-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methylidene]-1-tritylpiperidin-4-ol
SMILESCOc1ccc(Cn2nnnc2/C=C2/CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CCC2O)cc1
InChIInChI=1S/C34H33N5O2/c1-41-31-19-17-26(18-20-31)24-39-33(35-36-37-39)23-27-25-38(22-21-32(27)40)34(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-20,23,32,40H,21-22,24-25H2,1H3/b27-23-
InChIKeyFYMZVDROVFRIFD-VYIQYICTSA-N
MW543.67 g/mol
LogP5.17
Rot. Bonds8

About (3Z)-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methylidene]-1-tritylpiperidin-4-ol

(3Z)-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methylidene]-1-tritylpiperidin-4-ol (PubChem CID 23139287) has the molecular formula C34H33N5O2 and a molecular weight of 543.67 g/mol. Its IUPAC name is (3Z)-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methylidene]-1-tritylpiperidin-4-ol.

Molecular Properties

Compound Name(3Z)-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methylidene]-1-tritylpiperidin-4-ol
PubChem CID23139287
Molecular FormulaC34H33N5O2
Molecular Weight543.67 g/mol
Exact Mass543.26
IUPAC Name(3Z)-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methylidene]-1-tritylpiperidin-4-ol
SMILESCOc1ccc(Cn2nnnc2/C=C2/CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CCC2O)cc1
InChIInChI=1S/C34H33N5O2/c1-41-31-19-17-26(18-20-31)24-39-33(35-36-37-39)23-27-25-38(22-21-32(27)40)34(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-20,23,32,40H,21-22,24-25H2,1H3/b27-23-
InChIKeyFYMZVDROVFRIFD-VYIQYICTSA-N
XLogP5.17
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.67
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3Z)-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methylidene]-1-tritylpiperidin-4-ol with MolForge

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Related Compounds

(3Z)-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methylidene]-1-tritylpiperidin-4-one
CID 23139222
ethyl 5-[(Z)-(4-acetylsulfanyl-1-tritylpiperidin-3-ylidene)methyl]-3-[(4-methoxyphenyl)methyl]triazole-4-carboxylate
CID 23139056
(3E)-3-[(6-methyl-2-pyridinyl)methylidene]-1-tritylpiperidin-4-ol
CID 68764878
(3Z)-3-[(1-methylpyrazol-3-yl)methylidene]-1-tritylpiperidin-4-ol
CID 68763992
tert-butyl 3-[(E)-(4-hydroxy-1-tritylpiperidin-3-ylidene)methyl]-1,2,4-triazole-1-carboxylate
CID 23139089
S-[(3E)-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methylidene]piperidin-4-yl] ethanethioate;2,2,2-trifluoroacetic acid
CID 87566913
ethyl 3-[(4-methoxyphenyl)methyl]-5-[(E)-(4-oxo-1-tritylpiperidin-3-ylidene)methyl]triazole-4-carboxylate
CID 68764548
1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid
CID 12752372
ethyl 2-[4-[(Z)-(4-hydroxy-1-tritylpiperidin-3-ylidene)methyl]pyrazol-1-yl]acetate
CID 68766794
1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidin-1-ium
CID 6985779
5-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]tetrazole
CID 23019982
1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3210027

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methylidene]-1-tritylpiperidin-4-ol?
The IUPAC name of (3Z)-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methylidene]-1-tritylpiperidin-4-ol (CID 23139287) is (3Z)-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methylidene]-1-tritylpiperidin-4-ol.
What is the SMILES notation for (3Z)-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methylidene]-1-tritylpiperidin-4-ol?
The canonical SMILES for (3Z)-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methylidene]-1-tritylpiperidin-4-ol is COc1ccc(Cn2nnnc2/C=C2/CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CCC2O)cc1.
What is the InChIKey of (3Z)-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methylidene]-1-tritylpiperidin-4-ol?
The InChIKey is FYMZVDROVFRIFD-VYIQYICTSA-N. The full InChI is InChI=1S/C34H33N5O2/c1-41-31-19-17-26(18-20-31)24-39-33(35-36-37-39)23-27-25-38(22-21-32(27)40)34(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-20,23,32,40H,21-22,24-25H2,1H3/b27-23-.
What are the key properties of (3Z)-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methylidene]-1-tritylpiperidin-4-ol?
(3Z)-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methylidene]-1-tritylpiperidin-4-ol has a molecular weight of 543.67 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methylidene]-1-tritylpiperidin-4-ol is sourced from PubChem (CID 23139287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).