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

C17H23N3O — CID 86800334

IUPAC2-methyl-6-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]oxypyridine
SMILESCc1cccc(OC2CCN(Cc3cccn3C)CC2)n1
InChIInChI=1S/C17H23N3O/c1-14-5-3-7-17(18-14)21-16-8-11-20(12-9-16)13-15-6-4-10-19(15)2/h3-7,10,16H,8-9,11-13H2,1-2H3
InChIKeyYEIVEQBBAHBRSO-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.77
Rot. Bonds4

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

2-methyl-6-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]oxypyridine (PubChem CID 86800334) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-6-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name2-methyl-6-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]oxypyridine
PubChem CID86800334
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-methyl-6-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]oxypyridine
SMILESCc1cccc(OC2CCN(Cc3cccn3C)CC2)n1
InChIInChI=1S/C17H23N3O/c1-14-5-3-7-17(18-14)21-16-8-11-20(12-9-16)13-15-6-4-10-19(15)2/h3-7,10,16H,8-9,11-13H2,1-2H3
InChIKeyYEIVEQBBAHBRSO-UHFFFAOYSA-N
XLogP2.77
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[1-(4-methylpentan-2-yl)piperidin-4-yl]oxypyridine
CID 75457071
4-methyl-2-[1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 110103691
4-methyl-2-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 124947102
cyclobutyl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 72717362
1-[(1-methylpyrrol-2-yl)methyl]-4-methylsulfonylpiperidine
CID 121183065
tert-butyl N-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-phenylcarbamate
CID 22499501
2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine
CID 171702340
2-methyl-6-[(3R)-pyrrolidin-3-yl]oxypyridine
CID 94406823
2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 129418309
2-methyl-6-[2-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]pyridine
CID 4280984
4-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 91662509
2-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]oxy-6-methylpyridine
CID 129416960

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]oxypyridine?
The IUPAC name of 2-methyl-6-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]oxypyridine (CID 86800334) is 2-methyl-6-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]oxypyridine.
What is the SMILES notation for 2-methyl-6-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]oxypyridine?
The canonical SMILES for 2-methyl-6-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]oxypyridine is Cc1cccc(OC2CCN(Cc3cccn3C)CC2)n1.
What is the InChIKey of 2-methyl-6-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]oxypyridine?
The InChIKey is YEIVEQBBAHBRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14-5-3-7-17(18-14)21-16-8-11-20(12-9-16)13-15-6-4-10-19(15)2/h3-7,10,16H,8-9,11-13H2,1-2H3.
What are the key properties of 2-methyl-6-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]oxypyridine?
2-methyl-6-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]oxypyridine has a molecular weight of 285.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]oxypyridine is sourced from PubChem (CID 86800334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).