4-(benzhydrylideneamino)-3-tert-butyl-5-hydroxypiperidine-1-carboxylic acid

C23H28N2O3 — CID 87606905

IUPAC4-(benzhydrylideneamino)-3-tert-butyl-5-hydroxypiperidine-1-carboxylic acid
SMILESCC(C)(C)C1CN(C(=O)O)CC(O)C1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28N2O3/c1-23(2,3)18-14-25(22(27)28)15-19(26)21(18)24-20(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18-19,21,26H,14-15H2,1-3H3,(H,27,28)
InChIKeyNYADHSVGYPXPIZ-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.91
Rot. Bonds3

About 4-(benzhydrylideneamino)-3-tert-butyl-5-hydroxypiperidine-1-carboxylic acid

4-(benzhydrylideneamino)-3-tert-butyl-5-hydroxypiperidine-1-carboxylic acid (PubChem CID 87606905) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-(benzhydrylideneamino)-3-tert-butyl-5-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(benzhydrylideneamino)-3-tert-butyl-5-hydroxypiperidine-1-carboxylic acid
PubChem CID87606905
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name4-(benzhydrylideneamino)-3-tert-butyl-5-hydroxypiperidine-1-carboxylic acid
SMILESCC(C)(C)C1CN(C(=O)O)CC(O)C1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28N2O3/c1-23(2,3)18-14-25(22(27)28)15-19(26)21(18)24-20(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18-19,21,26H,14-15H2,1-3H3,(H,27,28)
InChIKeyNYADHSVGYPXPIZ-UHFFFAOYSA-N
XLogP3.91
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(benzhydrylideneamino)-3-tert-butyl-5-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 4-(benzhydrylideneamino)-3-tert-butyl-5-hydroxypiperidine-1-carboxylic acid (CID 87606905) is 4-(benzhydrylideneamino)-3-tert-butyl-5-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(benzhydrylideneamino)-3-tert-butyl-5-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-(benzhydrylideneamino)-3-tert-butyl-5-hydroxypiperidine-1-carboxylic acid is CC(C)(C)C1CN(C(=O)O)CC(O)C1N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(benzhydrylideneamino)-3-tert-butyl-5-hydroxypiperidine-1-carboxylic acid?
The InChIKey is NYADHSVGYPXPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-23(2,3)18-14-25(22(27)28)15-19(26)21(18)24-20(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18-19,21,26H,14-15H2,1-3H3,(H,27,28).
What are the key properties of 4-(benzhydrylideneamino)-3-tert-butyl-5-hydroxypiperidine-1-carboxylic acid?
4-(benzhydrylideneamino)-3-tert-butyl-5-hydroxypiperidine-1-carboxylic acid has a molecular weight of 380.49 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzhydrylideneamino)-3-tert-butyl-5-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 87606905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).