1-tert-butyl-4-ethyl-4-[(1-tritylimidazol-4-yl)methyl]piperidine

C34H41N3 — CID 150366898

IUPAC1-tert-butyl-4-ethyl-4-[(1-tritylimidazol-4-yl)methyl]piperidine
SMILESCCC1(Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)CCN(C(C)(C)C)CC1
InChIInChI=1S/C34H41N3/c1-5-33(21-23-36(24-22-33)32(2,3)4)25-31-26-37(27-35-31)34(28-15-9-6-10-16-28,29-17-11-7-12-18-29)30-19-13-8-14-20-30/h6-20,26-27H,5,21-25H2,1-4H3
InChIKeyGWXFEVKWIQTJOO-UHFFFAOYSA-N
MW491.72 g/mol
LogP7.56
Rot. Bonds7

About 1-tert-butyl-4-ethyl-4-[(1-tritylimidazol-4-yl)methyl]piperidine

1-tert-butyl-4-ethyl-4-[(1-tritylimidazol-4-yl)methyl]piperidine (PubChem CID 150366898) has the molecular formula C34H41N3 and a molecular weight of 491.72 g/mol. Its IUPAC name is 1-tert-butyl-4-ethyl-4-[(1-tritylimidazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-ethyl-4-[(1-tritylimidazol-4-yl)methyl]piperidine
PubChem CID150366898
Molecular FormulaC34H41N3
Molecular Weight491.72 g/mol
Exact Mass491.33
IUPAC Name1-tert-butyl-4-ethyl-4-[(1-tritylimidazol-4-yl)methyl]piperidine
SMILESCCC1(Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)CCN(C(C)(C)C)CC1
InChIInChI=1S/C34H41N3/c1-5-33(21-23-36(24-22-33)32(2,3)4)25-31-26-37(27-35-31)34(28-15-9-6-10-16-28,29-17-11-7-12-18-29)30-19-13-8-14-20-30/h6-20,26-27H,5,21-25H2,1-4H3
InChIKeyGWXFEVKWIQTJOO-UHFFFAOYSA-N
XLogP7.56
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.72
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-4-ethyl-4-[(1-tritylimidazol-4-yl)methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethyl-4-[(1-tritylimidazol-4-yl)methyl]piperidine?
The IUPAC name of 1-tert-butyl-4-ethyl-4-[(1-tritylimidazol-4-yl)methyl]piperidine (CID 150366898) is 1-tert-butyl-4-ethyl-4-[(1-tritylimidazol-4-yl)methyl]piperidine.
What is the SMILES notation for 1-tert-butyl-4-ethyl-4-[(1-tritylimidazol-4-yl)methyl]piperidine?
The canonical SMILES for 1-tert-butyl-4-ethyl-4-[(1-tritylimidazol-4-yl)methyl]piperidine is CCC1(Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-ethyl-4-[(1-tritylimidazol-4-yl)methyl]piperidine?
The InChIKey is GWXFEVKWIQTJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N3/c1-5-33(21-23-36(24-22-33)32(2,3)4)25-31-26-37(27-35-31)34(28-15-9-6-10-16-28,29-17-11-7-12-18-29)30-19-13-8-14-20-30/h6-20,26-27H,5,21-25H2,1-4H3.
What are the key properties of 1-tert-butyl-4-ethyl-4-[(1-tritylimidazol-4-yl)methyl]piperidine?
1-tert-butyl-4-ethyl-4-[(1-tritylimidazol-4-yl)methyl]piperidine has a molecular weight of 491.72 g/mol, XLogP of 7.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethyl-4-[(1-tritylimidazol-4-yl)methyl]piperidine is sourced from PubChem (CID 150366898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).