2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine

C17H21N3O — CID 56896073

IUPAC2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine
SMILESc1ccc(COC2CCCN(Cc3ccncc3)C2)nc1
InChIInChI=1S/C17H21N3O/c1-2-8-19-16(4-1)14-21-17-5-3-11-20(13-17)12-15-6-9-18-10-7-15/h1-2,4,6-10,17H,3,5,11-14H2
InChIKeyMWBDLLAONPZZRE-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.66
Rot. Bonds5

About 2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine

2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine (PubChem CID 56896073) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine
PubChem CID56896073
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine
SMILESc1ccc(COC2CCCN(Cc3ccncc3)C2)nc1
InChIInChI=1S/C17H21N3O/c1-2-8-19-16(4-1)14-21-17-5-3-11-20(13-17)12-15-6-9-18-10-7-15/h1-2,4,6-10,17H,3,5,11-14H2
InChIKeyMWBDLLAONPZZRE-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 95729769
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 56906695
7-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 157017052
3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole
CID 135101327
2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
CID 95632872
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 56914538
2-[[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 56904179
4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809
2-[4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenyl]pyridine
CID 56909379
3-fluoro-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine
CID 72920740
2-[[(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-3-yl]oxymethyl]pyridine
CID 125167692
4-[(3-fluoropiperidin-1-yl)methyl]pyridine
CID 171701781

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine?
The IUPAC name of 2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine (CID 56896073) is 2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine.
What is the SMILES notation for 2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine?
The canonical SMILES for 2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine is c1ccc(COC2CCCN(Cc3ccncc3)C2)nc1.
What is the InChIKey of 2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine?
The InChIKey is MWBDLLAONPZZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-8-19-16(4-1)14-21-17-5-3-11-20(13-17)12-15-6-9-18-10-7-15/h1-2,4,6-10,17H,3,5,11-14H2.
What are the key properties of 2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine?
2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine has a molecular weight of 283.38 g/mol, XLogP of 2.66, 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-3-yl]oxymethyl]pyridine is sourced from PubChem (CID 56896073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).