2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine

C21H27N3O2 — CID 58547869

IUPAC2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
SMILESCc1ccnc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-16-4-10-22-20(15-16)24-11-5-18(6-12-24)26-21-19(3-2-9-23-21)17-7-13-25-14-8-17/h2-4,9-10,15,17-18H,5-8,11-14H2,1H3
InChIKeyWYXGIRAIOHFRKC-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.73
Rot. Bonds4

About 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine

2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine (PubChem CID 58547869) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine.

Molecular Properties

Compound Name2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
PubChem CID58547869
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
SMILESCc1ccnc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-16-4-10-22-20(15-16)24-11-5-18(6-12-24)26-21-19(3-2-9-23-21)17-7-13-25-14-8-17/h2-4,9-10,15,17-18H,5-8,11-14H2,1H3
InChIKeyWYXGIRAIOHFRKC-UHFFFAOYSA-N
XLogP3.73
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carboxylate
CID 54670763
1-[4-[2-[1-(4-chloro-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 58548110
1-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 58548087
1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 58548003
3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid
CID 58548534
2-chloro-7-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride
CID 159164139
isoquinolin-3-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 54670305
4-methyl-2-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
CID 58548052
2-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpyridine
CID 82701061
2-[4-(2-bromoethoxy)piperidin-1-yl]-4-methylpyridine
CID 82701052
2-methyl-4-(oxolan-3-yl)-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine
CID 119059136
3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]-1-pyridin-2-ylcyclobutane-1-carbaldehyde
CID 88546078

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine?
The IUPAC name of 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine (CID 58547869) is 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine.
What is the SMILES notation for 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine?
The canonical SMILES for 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine is Cc1ccnc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)c1.
What is the InChIKey of 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine?
The InChIKey is WYXGIRAIOHFRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-4-10-22-20(15-16)24-11-5-18(6-12-24)26-21-19(3-2-9-23-21)17-7-13-25-14-8-17/h2-4,9-10,15,17-18H,5-8,11-14H2,1H3.
What are the key properties of 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine?
2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine has a molecular weight of 353.47 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine is sourced from PubChem (CID 58547869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).