3-tert-butyl-2,2,6,6-tetraethyl-4-hydroxypiperidine-1-carboxylic acid

C18H35NO3 — CID 171595444

IUPAC3-tert-butyl-2,2,6,6-tetraethyl-4-hydroxypiperidine-1-carboxylic acid
SMILESCCC1(CC)CC(O)C(C(C)(C)C)C(CC)(CC)N1C(=O)O
InChIInChI=1S/C18H35NO3/c1-8-17(9-2)12-13(20)14(16(5,6)7)18(10-3,11-4)19(17)15(21)22/h13-14,20H,8-12H2,1-7H3,(H,21,22)
InChIKeyNILFEIWCFQEUKT-UHFFFAOYSA-N
MW313.48 g/mol
LogP4.51
Rot. Bonds4

About 3-tert-butyl-2,2,6,6-tetraethyl-4-hydroxypiperidine-1-carboxylic acid

3-tert-butyl-2,2,6,6-tetraethyl-4-hydroxypiperidine-1-carboxylic acid (PubChem CID 171595444) has the molecular formula C18H35NO3 and a molecular weight of 313.48 g/mol. Its IUPAC name is 3-tert-butyl-2,2,6,6-tetraethyl-4-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-tert-butyl-2,2,6,6-tetraethyl-4-hydroxypiperidine-1-carboxylic acid
PubChem CID171595444
Molecular FormulaC18H35NO3
Molecular Weight313.48 g/mol
Exact Mass313.26
IUPAC Name3-tert-butyl-2,2,6,6-tetraethyl-4-hydroxypiperidine-1-carboxylic acid
SMILESCCC1(CC)CC(O)C(C(C)(C)C)C(CC)(CC)N1C(=O)O
InChIInChI=1S/C18H35NO3/c1-8-17(9-2)12-13(20)14(16(5,6)7)18(10-3,11-4)19(17)15(21)22/h13-14,20H,8-12H2,1-7H3,(H,21,22)
InChIKeyNILFEIWCFQEUKT-UHFFFAOYSA-N
XLogP4.51
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,2,6,6-tetraethyl-4-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 3-tert-butyl-2,2,6,6-tetraethyl-4-hydroxypiperidine-1-carboxylic acid (CID 171595444) is 3-tert-butyl-2,2,6,6-tetraethyl-4-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 3-tert-butyl-2,2,6,6-tetraethyl-4-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 3-tert-butyl-2,2,6,6-tetraethyl-4-hydroxypiperidine-1-carboxylic acid is CCC1(CC)CC(O)C(C(C)(C)C)C(CC)(CC)N1C(=O)O.
What is the InChIKey of 3-tert-butyl-2,2,6,6-tetraethyl-4-hydroxypiperidine-1-carboxylic acid?
The InChIKey is NILFEIWCFQEUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO3/c1-8-17(9-2)12-13(20)14(16(5,6)7)18(10-3,11-4)19(17)15(21)22/h13-14,20H,8-12H2,1-7H3,(H,21,22).
What are the key properties of 3-tert-butyl-2,2,6,6-tetraethyl-4-hydroxypiperidine-1-carboxylic acid?
3-tert-butyl-2,2,6,6-tetraethyl-4-hydroxypiperidine-1-carboxylic acid has a molecular weight of 313.48 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,2,6,6-tetraethyl-4-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 171595444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).