2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-6-(2-pyridin-2-ylethyl)pyridine

C24H28N4 — CID 162531759

IUPAC2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-6-(2-pyridin-2-ylethyl)pyridine
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2cccc(CCc3ccccn3)n2)N1C
InChIInChI=1S/C24H28N4/c1-18-8-7-17-26-24(18)23-13-6-12-22(28(23)2)21-11-5-10-20(27-21)15-14-19-9-3-4-16-25-19/h3-5,7-11,16-17,22-23H,6,12-15H2,1-2H3/t22-,23+/m1/s1
InChIKeyPEXODRYDIGOWIV-PKTZIBPZSA-N
MW372.52 g/mol
LogP4.86
Rot. Bonds5

About 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-6-(2-pyridin-2-ylethyl)pyridine

2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-6-(2-pyridin-2-ylethyl)pyridine (PubChem CID 162531759) has the molecular formula C24H28N4 and a molecular weight of 372.52 g/mol. Its IUPAC name is 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-6-(2-pyridin-2-ylethyl)pyridine.

Molecular Properties

Compound Name2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-6-(2-pyridin-2-ylethyl)pyridine
PubChem CID162531759
Molecular FormulaC24H28N4
Molecular Weight372.52 g/mol
Exact Mass372.23
IUPAC Name2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-6-(2-pyridin-2-ylethyl)pyridine
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2cccc(CCc3ccccn3)n2)N1C
InChIInChI=1S/C24H28N4/c1-18-8-7-17-26-24(18)23-13-6-12-22(28(23)2)21-11-5-10-20(27-21)15-14-19-9-3-4-16-25-19/h3-5,7-11,16-17,22-23H,6,12-15H2,1-2H3/t22-,23+/m1/s1
InChIKeyPEXODRYDIGOWIV-PKTZIBPZSA-N
XLogP4.86
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-6-(2-pyridin-2-ylethyl)pyridine?
The IUPAC name of 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-6-(2-pyridin-2-ylethyl)pyridine (CID 162531759) is 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-6-(2-pyridin-2-ylethyl)pyridine.
What is the SMILES notation for 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-6-(2-pyridin-2-ylethyl)pyridine?
The canonical SMILES for 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-6-(2-pyridin-2-ylethyl)pyridine is Cc1cccnc1[C@@H]1CCC[C@H](c2cccc(CCc3ccccn3)n2)N1C.
What is the InChIKey of 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-6-(2-pyridin-2-ylethyl)pyridine?
The InChIKey is PEXODRYDIGOWIV-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H28N4/c1-18-8-7-17-26-24(18)23-13-6-12-22(28(23)2)21-11-5-10-20(27-21)15-14-19-9-3-4-16-25-19/h3-5,7-11,16-17,22-23H,6,12-15H2,1-2H3/t22-,23+/m1/s1.
What are the key properties of 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-6-(2-pyridin-2-ylethyl)pyridine?
2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-6-(2-pyridin-2-ylethyl)pyridine has a molecular weight of 372.52 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-6-(2-pyridin-2-ylethyl)pyridine is sourced from PubChem (CID 162531759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).