2-methyl-6-[1-(4-methylpentan-2-yl)piperidin-4-yl]oxypyridine

C17H28N2O — CID 75457071

IUPAC2-methyl-6-[1-(4-methylpentan-2-yl)piperidin-4-yl]oxypyridine
SMILESCc1cccc(OC2CCN(C(C)CC(C)C)CC2)n1
InChIInChI=1S/C17H28N2O/c1-13(2)12-15(4)19-10-8-16(9-11-19)20-17-7-5-6-14(3)18-17/h5-7,13,15-16H,8-12H2,1-4H3
InChIKeySDLUAMAXPNDGFB-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.67
Rot. Bonds5

About 2-methyl-6-[1-(4-methylpentan-2-yl)piperidin-4-yl]oxypyridine

2-methyl-6-[1-(4-methylpentan-2-yl)piperidin-4-yl]oxypyridine (PubChem CID 75457071) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-methyl-6-[1-(4-methylpentan-2-yl)piperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name2-methyl-6-[1-(4-methylpentan-2-yl)piperidin-4-yl]oxypyridine
PubChem CID75457071
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-methyl-6-[1-(4-methylpentan-2-yl)piperidin-4-yl]oxypyridine
SMILESCc1cccc(OC2CCN(C(C)CC(C)C)CC2)n1
InChIInChI=1S/C17H28N2O/c1-13(2)12-15(4)19-10-8-16(9-11-19)20-17-7-5-6-14(3)18-17/h5-7,13,15-16H,8-12H2,1-4H3
InChIKeySDLUAMAXPNDGFB-UHFFFAOYSA-N
XLogP3.67
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[1-(4-methylpentan-2-yl)piperidin-4-yl]oxypyridine?
The IUPAC name of 2-methyl-6-[1-(4-methylpentan-2-yl)piperidin-4-yl]oxypyridine (CID 75457071) is 2-methyl-6-[1-(4-methylpentan-2-yl)piperidin-4-yl]oxypyridine.
What is the SMILES notation for 2-methyl-6-[1-(4-methylpentan-2-yl)piperidin-4-yl]oxypyridine?
The canonical SMILES for 2-methyl-6-[1-(4-methylpentan-2-yl)piperidin-4-yl]oxypyridine is Cc1cccc(OC2CCN(C(C)CC(C)C)CC2)n1.
What is the InChIKey of 2-methyl-6-[1-(4-methylpentan-2-yl)piperidin-4-yl]oxypyridine?
The InChIKey is SDLUAMAXPNDGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)12-15(4)19-10-8-16(9-11-19)20-17-7-5-6-14(3)18-17/h5-7,13,15-16H,8-12H2,1-4H3.
What are the key properties of 2-methyl-6-[1-(4-methylpentan-2-yl)piperidin-4-yl]oxypyridine?
2-methyl-6-[1-(4-methylpentan-2-yl)piperidin-4-yl]oxypyridine has a molecular weight of 276.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[1-(4-methylpentan-2-yl)piperidin-4-yl]oxypyridine is sourced from PubChem (CID 75457071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).