2-tert-butyl-5-(1-methylpiperidin-4-yl)pyridine

C15H24N2 — CID 122472514

IUPAC2-tert-butyl-5-(1-methylpiperidin-4-yl)pyridine
SMILESCN1CCC(c2ccc(C(C)(C)C)nc2)CC1
InChIInChI=1S/C15H24N2/c1-15(2,3)14-6-5-13(11-16-14)12-7-9-17(4)10-8-12/h5-6,11-12H,7-10H2,1-4H3
InChIKeyXYJIELZKPFBANI-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.19
Rot. Bonds1

About 2-tert-butyl-5-(1-methylpiperidin-4-yl)pyridine

2-tert-butyl-5-(1-methylpiperidin-4-yl)pyridine (PubChem CID 122472514) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-tert-butyl-5-(1-methylpiperidin-4-yl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-5-(1-methylpiperidin-4-yl)pyridine
PubChem CID122472514
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-tert-butyl-5-(1-methylpiperidin-4-yl)pyridine
SMILESCN1CCC(c2ccc(C(C)(C)C)nc2)CC1
InChIInChI=1S/C15H24N2/c1-15(2,3)14-6-5-13(11-16-14)12-7-9-17(4)10-8-12/h5-6,11-12H,7-10H2,1-4H3
InChIKeyXYJIELZKPFBANI-UHFFFAOYSA-N
XLogP3.19
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(1-methylpiperidin-4-yl)pyridine?
The IUPAC name of 2-tert-butyl-5-(1-methylpiperidin-4-yl)pyridine (CID 122472514) is 2-tert-butyl-5-(1-methylpiperidin-4-yl)pyridine.
What is the SMILES notation for 2-tert-butyl-5-(1-methylpiperidin-4-yl)pyridine?
The canonical SMILES for 2-tert-butyl-5-(1-methylpiperidin-4-yl)pyridine is CN1CCC(c2ccc(C(C)(C)C)nc2)CC1.
What is the InChIKey of 2-tert-butyl-5-(1-methylpiperidin-4-yl)pyridine?
The InChIKey is XYJIELZKPFBANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-15(2,3)14-6-5-13(11-16-14)12-7-9-17(4)10-8-12/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 2-tert-butyl-5-(1-methylpiperidin-4-yl)pyridine?
2-tert-butyl-5-(1-methylpiperidin-4-yl)pyridine has a molecular weight of 232.37 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(1-methylpiperidin-4-yl)pyridine is sourced from PubChem (CID 122472514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).