2-[4-(3-methoxypiperidin-1-yl)piperidin-1-yl]-5-methylpyridine

C17H27N3O — CID 59535820

IUPAC2-[4-(3-methoxypiperidin-1-yl)piperidin-1-yl]-5-methylpyridine
SMILESCOC1CCCN(C2CCN(c3ccc(C)cn3)CC2)C1
InChIInChI=1S/C17H27N3O/c1-14-5-6-17(18-12-14)19-10-7-15(8-11-19)20-9-3-4-16(13-20)21-2/h5-6,12,15-16H,3-4,7-11,13H2,1-2H3
InChIKeyHALRXNCPQTZIKL-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.47
Rot. Bonds3

About 2-[4-(3-methoxypiperidin-1-yl)piperidin-1-yl]-5-methylpyridine

2-[4-(3-methoxypiperidin-1-yl)piperidin-1-yl]-5-methylpyridine (PubChem CID 59535820) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[4-(3-methoxypiperidin-1-yl)piperidin-1-yl]-5-methylpyridine.

Molecular Properties

Compound Name2-[4-(3-methoxypiperidin-1-yl)piperidin-1-yl]-5-methylpyridine
PubChem CID59535820
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[4-(3-methoxypiperidin-1-yl)piperidin-1-yl]-5-methylpyridine
SMILESCOC1CCCN(C2CCN(c3ccc(C)cn3)CC2)C1
InChIInChI=1S/C17H27N3O/c1-14-5-6-17(18-12-14)19-10-7-15(8-11-19)20-9-3-4-16(13-20)21-2/h5-6,12,15-16H,3-4,7-11,13H2,1-2H3
InChIKeyHALRXNCPQTZIKL-UHFFFAOYSA-N
XLogP2.47
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxypiperidin-1-yl)piperidin-1-yl]-5-methylpyridine?
The IUPAC name of 2-[4-(3-methoxypiperidin-1-yl)piperidin-1-yl]-5-methylpyridine (CID 59535820) is 2-[4-(3-methoxypiperidin-1-yl)piperidin-1-yl]-5-methylpyridine.
What is the SMILES notation for 2-[4-(3-methoxypiperidin-1-yl)piperidin-1-yl]-5-methylpyridine?
The canonical SMILES for 2-[4-(3-methoxypiperidin-1-yl)piperidin-1-yl]-5-methylpyridine is COC1CCCN(C2CCN(c3ccc(C)cn3)CC2)C1.
What is the InChIKey of 2-[4-(3-methoxypiperidin-1-yl)piperidin-1-yl]-5-methylpyridine?
The InChIKey is HALRXNCPQTZIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-5-6-17(18-12-14)19-10-7-15(8-11-19)20-9-3-4-16(13-20)21-2/h5-6,12,15-16H,3-4,7-11,13H2,1-2H3.
What are the key properties of 2-[4-(3-methoxypiperidin-1-yl)piperidin-1-yl]-5-methylpyridine?
2-[4-(3-methoxypiperidin-1-yl)piperidin-1-yl]-5-methylpyridine has a molecular weight of 289.42 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxypiperidin-1-yl)piperidin-1-yl]-5-methylpyridine is sourced from PubChem (CID 59535820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).