[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] pyridine-2-carboxylate

C23H30N2O3 — CID 89097652

IUPAC[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] pyridine-2-carboxylate
SMILESCC(ON1C(C)(C)CC(OC(=O)c2ccccn2)CC1(C)C)c1ccccc1
InChIInChI=1S/C23H30N2O3/c1-17(18-11-7-6-8-12-18)28-25-22(2,3)15-19(16-23(25,4)5)27-21(26)20-13-9-10-14-24-20/h6-14,17,19H,15-16H2,1-5H3
InChIKeyIONJPNVRCTXPBS-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.95
Rot. Bonds5

About [2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] pyridine-2-carboxylate

[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] pyridine-2-carboxylate (PubChem CID 89097652) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is [2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] pyridine-2-carboxylate
PubChem CID89097652
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] pyridine-2-carboxylate
SMILESCC(ON1C(C)(C)CC(OC(=O)c2ccccn2)CC1(C)C)c1ccccc1
InChIInChI=1S/C23H30N2O3/c1-17(18-11-7-6-8-12-18)28-25-22(2,3)15-19(16-23(25,4)5)27-21(26)20-13-9-10-14-24-20/h6-14,17,19H,15-16H2,1-5H3
InChIKeyIONJPNVRCTXPBS-UHFFFAOYSA-N
XLogP4.95
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] pyridine-2-carboxylate?
The IUPAC name of [2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] pyridine-2-carboxylate (CID 89097652) is [2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] pyridine-2-carboxylate.
What is the SMILES notation for [2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] pyridine-2-carboxylate?
The canonical SMILES for [2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] pyridine-2-carboxylate is CC(ON1C(C)(C)CC(OC(=O)c2ccccn2)CC1(C)C)c1ccccc1.
What is the InChIKey of [2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] pyridine-2-carboxylate?
The InChIKey is IONJPNVRCTXPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-17(18-11-7-6-8-12-18)28-25-22(2,3)15-19(16-23(25,4)5)27-21(26)20-13-9-10-14-24-20/h6-14,17,19H,15-16H2,1-5H3.
What are the key properties of [2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] pyridine-2-carboxylate?
[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] pyridine-2-carboxylate has a molecular weight of 382.50 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] pyridine-2-carboxylate is sourced from PubChem (CID 89097652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).