2,2,6,6-tetramethyl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine

C28H36N4O — CID 46954417

IUPAC2,2,6,6-tetramethyl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESCC1(C)CC(N(Cc2cccnc2)Cc2ccccc2OCc2ccccn2)CC(C)(C)N1
InChIInChI=1S/C28H36N4O/c1-27(2)16-25(17-28(3,4)31-27)32(19-22-10-9-14-29-18-22)20-23-11-5-6-13-26(23)33-21-24-12-7-8-15-30-24/h5-15,18,25,31H,16-17,19-21H2,1-4H3
InChIKeyYLETUWOSZWQSEJ-UHFFFAOYSA-N
MW444.62 g/mol
LogP5.37
Rot. Bonds8

About 2,2,6,6-tetramethyl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine

2,2,6,6-tetramethyl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine (PubChem CID 46954417) has the molecular formula C28H36N4O and a molecular weight of 444.62 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine
PubChem CID46954417
Molecular FormulaC28H36N4O
Molecular Weight444.62 g/mol
Exact Mass444.29
IUPAC Name2,2,6,6-tetramethyl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESCC1(C)CC(N(Cc2cccnc2)Cc2ccccc2OCc2ccccn2)CC(C)(C)N1
InChIInChI=1S/C28H36N4O/c1-27(2)16-25(17-28(3,4)31-27)32(19-22-10-9-14-29-18-22)20-23-11-5-6-13-26(23)33-21-24-12-7-8-15-30-24/h5-15,18,25,31H,16-17,19-21H2,1-4H3
InChIKeyYLETUWOSZWQSEJ-UHFFFAOYSA-N
XLogP5.37
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 2,2,6,6-tetramethyl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine (CID 46954417) is 2,2,6,6-tetramethyl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 2,2,6,6-tetramethyl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 2,2,6,6-tetramethyl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine is CC1(C)CC(N(Cc2cccnc2)Cc2ccccc2OCc2ccccn2)CC(C)(C)N1.
What is the InChIKey of 2,2,6,6-tetramethyl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine?
The InChIKey is YLETUWOSZWQSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O/c1-27(2)16-25(17-28(3,4)31-27)32(19-22-10-9-14-29-18-22)20-23-11-5-6-13-26(23)33-21-24-12-7-8-15-30-24/h5-15,18,25,31H,16-17,19-21H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine?
2,2,6,6-tetramethyl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine has a molecular weight of 444.62 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 46954417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).