2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine

C17H21N3O — CID 166602497

IUPAC2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine
SMILESc1ccc(OCC2CCN(Cc3ccncc3)CC2)nc1
InChIInChI=1S/C17H21N3O/c1-2-8-19-17(3-1)21-14-16-6-11-20(12-7-16)13-15-4-9-18-10-5-15/h1-5,8-10,16H,6-7,11-14H2
InChIKeyVJXRVBPCGAQMNE-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.77
Rot. Bonds5

About 2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine

2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine (PubChem CID 166602497) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine
PubChem CID166602497
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine
SMILESc1ccc(OCC2CCN(Cc3ccncc3)CC2)nc1
InChIInChI=1S/C17H21N3O/c1-2-8-19-17(3-1)21-14-16-6-11-20(12-7-16)13-15-4-9-18-10-5-15/h1-5,8-10,16H,6-7,11-14H2
InChIKeyVJXRVBPCGAQMNE-UHFFFAOYSA-N
XLogP2.77
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine?
The IUPAC name of 2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine (CID 166602497) is 2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine.
What is the SMILES notation for 2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine?
The canonical SMILES for 2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine is c1ccc(OCC2CCN(Cc3ccncc3)CC2)nc1.
What is the InChIKey of 2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine?
The InChIKey is VJXRVBPCGAQMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-8-19-17(3-1)21-14-16-6-11-20(12-7-16)13-15-4-9-18-10-5-15/h1-5,8-10,16H,6-7,11-14H2.
What are the key properties of 2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine?
2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine has a molecular weight of 283.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine is sourced from PubChem (CID 166602497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).