2,4-dibenzyl-6-[1-[2-(piperidin-1-ylmethyl)phenyl]phosphanylethyl]phenol

C34H38NOP — CID 163640495

IUPAC2,4-dibenzyl-6-[1-[2-(piperidin-1-ylmethyl)phenyl]phosphanylethyl]phenol
SMILESCC(Pc1ccccc1CN1CCCCC1)c1cc(Cc2ccccc2)cc(Cc2ccccc2)c1O
InChIInChI=1S/C34H38NOP/c1-26(37-33-18-10-9-17-30(33)25-35-19-11-4-12-20-35)32-24-29(21-27-13-5-2-6-14-27)23-31(34(32)36)22-28-15-7-3-8-16-28/h2-3,5-10,13-18,23-24,26,36-37H,4,11-12,19-22,25H2,1H3
InChIKeyIDUZTTALZJSBSI-UHFFFAOYSA-N
MW507.66 g/mol
LogP7.62
Rot. Bonds9

About 2,4-dibenzyl-6-[1-[2-(piperidin-1-ylmethyl)phenyl]phosphanylethyl]phenol

2,4-dibenzyl-6-[1-[2-(piperidin-1-ylmethyl)phenyl]phosphanylethyl]phenol (PubChem CID 163640495) has the molecular formula C34H38NOP and a molecular weight of 507.66 g/mol. Its IUPAC name is 2,4-dibenzyl-6-[1-[2-(piperidin-1-ylmethyl)phenyl]phosphanylethyl]phenol.

Molecular Properties

Compound Name2,4-dibenzyl-6-[1-[2-(piperidin-1-ylmethyl)phenyl]phosphanylethyl]phenol
PubChem CID163640495
Molecular FormulaC34H38NOP
Molecular Weight507.66 g/mol
Exact Mass507.27
IUPAC Name2,4-dibenzyl-6-[1-[2-(piperidin-1-ylmethyl)phenyl]phosphanylethyl]phenol
SMILESCC(Pc1ccccc1CN1CCCCC1)c1cc(Cc2ccccc2)cc(Cc2ccccc2)c1O
InChIInChI=1S/C34H38NOP/c1-26(37-33-18-10-9-17-30(33)25-35-19-11-4-12-20-35)32-24-29(21-27-13-5-2-6-14-27)23-31(34(32)36)22-28-15-7-3-8-16-28/h2-3,5-10,13-18,23-24,26,36-37H,4,11-12,19-22,25H2,1H3
InChIKeyIDUZTTALZJSBSI-UHFFFAOYSA-N
XLogP7.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.66
LogP ≤ 57.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibenzyl-6-(2-hydroxypropyl)phenol
CID 163237017
3-[5-benzyl-3-(piperidin-1-ylmethyl)-2-propan-2-yloxyphenyl]-2,4-dioxobutanoic acid
CID 22613227
2,4-dibenzyl-6-(2-methoxypropyl)phenol
CID 163237034
1-benzylazepane
CID 10954328
4-phenylmethoxy-2,6-bis(pyrrolidin-1-ylmethyl)phenol
CID 13417334
2-[1-(5-benzyl-2-hydroxyphenyl)ethylphosphanyl]benzaldehyde
CID 163676182
2-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111036655
2-(aminomethyl)-6-[[1-[[3-(aminomethyl)-2-hydroxy-5-methylphenyl]methyl]-4-benzyl-1,4,8-triazacycloundec-8-yl]methyl]-4-methylphenol
CID 170744267
1-benzylpyrrolidine;propane
CID 143692089
1-[(2-benzylphenyl)methyl]-4-propan-2-ylpiperazine;(Z)-but-2-enedioic acid
CID 20840153
2-tert-butyl-6-[[3-tert-butyl-2-hydroxy-5-(piperidin-1-ylmethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)phenol
CID 21053756
1-[1-(2-benzylphenoxy)ethyl]pyrrolidine
CID 18678292

Frequently Asked Questions

What is the IUPAC name of 2,4-dibenzyl-6-[1-[2-(piperidin-1-ylmethyl)phenyl]phosphanylethyl]phenol?
The IUPAC name of 2,4-dibenzyl-6-[1-[2-(piperidin-1-ylmethyl)phenyl]phosphanylethyl]phenol (CID 163640495) is 2,4-dibenzyl-6-[1-[2-(piperidin-1-ylmethyl)phenyl]phosphanylethyl]phenol.
What is the SMILES notation for 2,4-dibenzyl-6-[1-[2-(piperidin-1-ylmethyl)phenyl]phosphanylethyl]phenol?
The canonical SMILES for 2,4-dibenzyl-6-[1-[2-(piperidin-1-ylmethyl)phenyl]phosphanylethyl]phenol is CC(Pc1ccccc1CN1CCCCC1)c1cc(Cc2ccccc2)cc(Cc2ccccc2)c1O.
What is the InChIKey of 2,4-dibenzyl-6-[1-[2-(piperidin-1-ylmethyl)phenyl]phosphanylethyl]phenol?
The InChIKey is IDUZTTALZJSBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38NOP/c1-26(37-33-18-10-9-17-30(33)25-35-19-11-4-12-20-35)32-24-29(21-27-13-5-2-6-14-27)23-31(34(32)36)22-28-15-7-3-8-16-28/h2-3,5-10,13-18,23-24,26,36-37H,4,11-12,19-22,25H2,1H3.
What are the key properties of 2,4-dibenzyl-6-[1-[2-(piperidin-1-ylmethyl)phenyl]phosphanylethyl]phenol?
2,4-dibenzyl-6-[1-[2-(piperidin-1-ylmethyl)phenyl]phosphanylethyl]phenol has a molecular weight of 507.66 g/mol, XLogP of 7.62, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibenzyl-6-[1-[2-(piperidin-1-ylmethyl)phenyl]phosphanylethyl]phenol is sourced from PubChem (CID 163640495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).