(E)-N-piperidin-1-yl-12-trityloxydodecan-1-imine

C36H48N2O — CID 177403744

IUPAC(E)-N-piperidin-1-yl-12-trityloxydodecan-1-imine
SMILESC(\CCCCCCCCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)=N/N1CCCCC1
InChIInChI=1S/C36H48N2O/c1(3-5-7-19-29-37-38-30-20-12-21-31-38)2-4-6-8-22-32-39-36(33-23-13-9-14-24-33,34-25-15-10-16-26-34)35-27-17-11-18-28-35/h9-11,13-18,23-29H,1-8,12,19-22,30-32H2/b37-29+
InChIKeyXEJGIKFHGRWTOM-SMTCOIIISA-N
MW524.79 g/mol
LogP9.37
Rot. Bonds17

About (E)-N-piperidin-1-yl-12-trityloxydodecan-1-imine

(E)-N-piperidin-1-yl-12-trityloxydodecan-1-imine (PubChem CID 177403744) has the molecular formula C36H48N2O and a molecular weight of 524.79 g/mol. Its IUPAC name is (E)-N-piperidin-1-yl-12-trityloxydodecan-1-imine.

Molecular Properties

Compound Name(E)-N-piperidin-1-yl-12-trityloxydodecan-1-imine
PubChem CID177403744
Molecular FormulaC36H48N2O
Molecular Weight524.79 g/mol
Exact Mass524.38
IUPAC Name(E)-N-piperidin-1-yl-12-trityloxydodecan-1-imine
SMILESC(\CCCCCCCCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)=N/N1CCCCC1
InChIInChI=1S/C36H48N2O/c1(3-5-7-19-29-37-38-30-20-12-21-31-38)2-4-6-8-22-32-39-36(33-23-13-9-14-24-33,34-25-15-10-16-26-34)35-27-17-11-18-28-35/h9-11,13-18,23-29H,1-8,12,19-22,30-32H2/b37-29+
InChIKeyXEJGIKFHGRWTOM-SMTCOIIISA-N
XLogP9.37
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.79
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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zinc;carbanide;[hex-5-enoxy(diphenyl)methyl]benzene
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5-(5-trityloxypentoxy)pentanoic acid
CID 122573368
N,N'-di(piperidin-1-yl)propane-1,3-diimine
CID 89456098
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2-(3-trityloxypropoxy)oxane
CID 101461782
2-(4-trityloxybutoxymethyl)oxirane
CID 19992449
3-trityloxypropanal
CID 571223
tert-butyl-dimethyl-(6-trityloxyhexoxy)silane
CID 16753413
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1-methoxy-4-(10-trityloxydecoxymethyl)benzene
CID 11284058

Frequently Asked Questions

What is the IUPAC name of (E)-N-piperidin-1-yl-12-trityloxydodecan-1-imine?
The IUPAC name of (E)-N-piperidin-1-yl-12-trityloxydodecan-1-imine (CID 177403744) is (E)-N-piperidin-1-yl-12-trityloxydodecan-1-imine.
What is the SMILES notation for (E)-N-piperidin-1-yl-12-trityloxydodecan-1-imine?
The canonical SMILES for (E)-N-piperidin-1-yl-12-trityloxydodecan-1-imine is C(\CCCCCCCCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)=N/N1CCCCC1.
What is the InChIKey of (E)-N-piperidin-1-yl-12-trityloxydodecan-1-imine?
The InChIKey is XEJGIKFHGRWTOM-SMTCOIIISA-N. The full InChI is InChI=1S/C36H48N2O/c1(3-5-7-19-29-37-38-30-20-12-21-31-38)2-4-6-8-22-32-39-36(33-23-13-9-14-24-33,34-25-15-10-16-26-34)35-27-17-11-18-28-35/h9-11,13-18,23-29H,1-8,12,19-22,30-32H2/b37-29+.
What are the key properties of (E)-N-piperidin-1-yl-12-trityloxydodecan-1-imine?
(E)-N-piperidin-1-yl-12-trityloxydodecan-1-imine has a molecular weight of 524.79 g/mol, XLogP of 9.37, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-piperidin-1-yl-12-trityloxydodecan-1-imine is sourced from PubChem (CID 177403744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).