3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-2-methylpyridine

C17H28N2 — CID 129258330

IUPAC3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-2-methylpyridine
SMILESCc1nc(N2CC(C)CC(C)C2)ccc1C(C)(C)C
InChIInChI=1S/C17H28N2/c1-12-9-13(2)11-19(10-12)16-8-7-15(14(3)18-16)17(4,5)6/h7-8,12-13H,9-11H2,1-6H3
InChIKeyAKNFZWQZEQKQJR-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.17
Rot. Bonds1

About 3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-2-methylpyridine

3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-2-methylpyridine (PubChem CID 129258330) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-2-methylpyridine.

Molecular Properties

Compound Name3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-2-methylpyridine
PubChem CID129258330
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-2-methylpyridine
SMILESCc1nc(N2CC(C)CC(C)C2)ccc1C(C)(C)C
InChIInChI=1S/C17H28N2/c1-12-9-13(2)11-19(10-12)16-8-7-15(14(3)18-16)17(4,5)6/h7-8,12-13H,9-11H2,1-6H3
InChIKeyAKNFZWQZEQKQJR-UHFFFAOYSA-N
XLogP4.17
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-2-methylpyridine?
The IUPAC name of 3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-2-methylpyridine (CID 129258330) is 3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-2-methylpyridine.
What is the SMILES notation for 3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-2-methylpyridine?
The canonical SMILES for 3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-2-methylpyridine is Cc1nc(N2CC(C)CC(C)C2)ccc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-2-methylpyridine?
The InChIKey is AKNFZWQZEQKQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12-9-13(2)11-19(10-12)16-8-7-15(14(3)18-16)17(4,5)6/h7-8,12-13H,9-11H2,1-6H3.
What are the key properties of 3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-2-methylpyridine?
3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-2-methylpyridine has a molecular weight of 260.43 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-2-methylpyridine is sourced from PubChem (CID 129258330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).