2-tert-butyl-4-methyl-6-[2-[(Z)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol

C23H31N2OP — CID 149182518

IUPAC2-tert-butyl-4-methyl-6-[2-[(Z)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol
SMILESCc1cc(Pc2ccccc2/C=N\N2CCCCC2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C23H31N2OP/c1-17-14-19(23(2,3)4)22(26)21(15-17)27-20-11-7-6-10-18(20)16-24-25-12-8-5-9-13-25/h6-7,10-11,14-16,26-27H,5,8-9,12-13H2,1-4H3/b24-16-
InChIKeyXFBKPMZBECPIMX-JLPGSUDCSA-N
MW382.49 g/mol
LogP4.45
Rot. Bonds4

About 2-tert-butyl-4-methyl-6-[2-[(Z)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol

2-tert-butyl-4-methyl-6-[2-[(Z)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol (PubChem CID 149182518) has the molecular formula C23H31N2OP and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-6-[2-[(Z)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-6-[2-[(Z)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol
PubChem CID149182518
Molecular FormulaC23H31N2OP
Molecular Weight382.49 g/mol
Exact Mass382.22
IUPAC Name2-tert-butyl-4-methyl-6-[2-[(Z)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol
SMILESCc1cc(Pc2ccccc2/C=N\N2CCCCC2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C23H31N2OP/c1-17-14-19(23(2,3)4)22(26)21(15-17)27-20-11-7-6-10-18(20)16-24-25-12-8-5-9-13-25/h6-7,10-11,14-16,26-27H,5,8-9,12-13H2,1-4H3/b24-16-
InChIKeyXFBKPMZBECPIMX-JLPGSUDCSA-N
XLogP4.45
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-4-methyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol
CID 76558159
2-tert-butyl-4-methyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;2,4-ditert-butyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol
CID 172960859
1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine
CID 76558485
(E)-1-[2-[2-[2-(methoxymethoxy)-3,5-dimethylphenyl]pentan-2-ylphosphanyl]phenyl]-N-piperidin-1-ylmethanimine
CID 89356571
2-tert-butyl-4-methyl-6-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylphenol;2,4-ditert-butyl-6-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylphenol;2,4-dimethyl-6-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylphenol;2-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylphenol;2-methyl-6-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylphenol;4-methyl-2-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylphenol
CID 160963521
2-[(E)-piperidin-1-yliminomethyl]benzoic acid
CID 24560902
2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
CID 19042670
2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
CID 136766507
2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4,6-dimethylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-6-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanylphenol;tetrakis(dichlorotitanium)
CID 160869020
4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol
CID 135684063
4-tert-butyl-2-[4-fluoro-2-(methyliminomethyl)phenyl]phosphanyl-6-methylphenol;2-tert-butyl-4-methyl-6-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylphenol;2,4-ditert-butyl-6-[4-fluoro-2-(methyliminomethyl)phenyl]phosphanylphenol;2-[4-fluoro-2-(methyliminomethyl)phenyl]phosphanyl-4,6-dimethylphenol;2-[4-fluoro-2-(methyliminomethyl)phenyl]phosphanyl-4-methylphenol;2-[4-fluoro-2-(methyliminomethyl)phenyl]phosphanyl-6-methylphenol
CID 160780100
2,4-dibromo-6-(piperidin-1-yliminomethyl)phenol
CID 135709522

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-6-[2-[(Z)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol?
The IUPAC name of 2-tert-butyl-4-methyl-6-[2-[(Z)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol (CID 149182518) is 2-tert-butyl-4-methyl-6-[2-[(Z)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol.
What is the SMILES notation for 2-tert-butyl-4-methyl-6-[2-[(Z)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol?
The canonical SMILES for 2-tert-butyl-4-methyl-6-[2-[(Z)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol is Cc1cc(Pc2ccccc2/C=N\N2CCCCC2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-methyl-6-[2-[(Z)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol?
The InChIKey is XFBKPMZBECPIMX-JLPGSUDCSA-N. The full InChI is InChI=1S/C23H31N2OP/c1-17-14-19(23(2,3)4)22(26)21(15-17)27-20-11-7-6-10-18(20)16-24-25-12-8-5-9-13-25/h6-7,10-11,14-16,26-27H,5,8-9,12-13H2,1-4H3/b24-16-.
What are the key properties of 2-tert-butyl-4-methyl-6-[2-[(Z)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol?
2-tert-butyl-4-methyl-6-[2-[(Z)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol has a molecular weight of 382.49 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-6-[2-[(Z)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol is sourced from PubChem (CID 149182518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).