2-(2-methoxyphenyl)-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine

C22H28N2O2 — CID 110249868

IUPAC2-(2-methoxyphenyl)-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine
SMILESCOc1ccccc1-c1cccc(C2CCCN(C3CCOCC3)C2)n1
InChIInChI=1S/C22H28N2O2/c1-25-22-10-3-2-7-19(22)21-9-4-8-20(23-21)17-6-5-13-24(16-17)18-11-14-26-15-12-18/h2-4,7-10,17-18H,5-6,11-16H2,1H3
InChIKeyPIZRGAROLMUFNT-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.12
Rot. Bonds4

About 2-(2-methoxyphenyl)-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine

2-(2-methoxyphenyl)-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine (PubChem CID 110249868) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine
PubChem CID110249868
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(2-methoxyphenyl)-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine
SMILESCOc1ccccc1-c1cccc(C2CCCN(C3CCOCC3)C2)n1
InChIInChI=1S/C22H28N2O2/c1-25-22-10-3-2-7-19(22)21-9-4-8-20(23-21)17-6-5-13-24(16-17)18-11-14-26-15-12-18/h2-4,7-10,17-18H,5-6,11-16H2,1H3
InChIKeyPIZRGAROLMUFNT-UHFFFAOYSA-N
XLogP4.12
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Bodilisant
CID 71528209
2-[4-(4-Fluorophenoxy)phenyl]-6-methyl-4-(2-piperidin-1-ylethoxy)pyridine
CID 10179509
2,6-Bis(4-methoxyphenyl)pyridine
CID 740843
Caerulomycin K
CID 135962791
(1)Benzoxepino(3,4-b)pyridine, 5,11-dihydro-5-(4-methyl-1-piperazinyl)-
CID 13469338
2-(2-Methoxyphenyl)pyridine
CID 231605
3-[1-[(3-Propoxyphenyl)methyl]piperidin-2-yl]pyridine;hydrochloride
CID 6603597
4-(4-Methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium perchlorate
CID 16196195
2-[2-(4-Methoxyphenyl)ethyl]-5-(1-methylpyrrolidin-2-yl)pyridine
CID 44399111
1'-(2-Methylpropyl)-2-pyridin-4-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
CID 44416309
1-[4-(2-ethylphenoxy)-6-methyl-3-pyridinyl]-N,N-dimethylmethanamine
CID 44452775
N,N-dimethyl-1-[6-methyl-4-(2-propylphenoxy)-3-pyridinyl]methanamine
CID 44452990

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine?
The IUPAC name of 2-(2-methoxyphenyl)-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine (CID 110249868) is 2-(2-methoxyphenyl)-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine.
What is the SMILES notation for 2-(2-methoxyphenyl)-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine?
The canonical SMILES for 2-(2-methoxyphenyl)-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine is COc1ccccc1-c1cccc(C2CCCN(C3CCOCC3)C2)n1.
What is the InChIKey of 2-(2-methoxyphenyl)-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine?
The InChIKey is PIZRGAROLMUFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-25-22-10-3-2-7-19(22)21-9-4-8-20(23-21)17-6-5-13-24(16-17)18-11-14-26-15-12-18/h2-4,7-10,17-18H,5-6,11-16H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine?
2-(2-methoxyphenyl)-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine has a molecular weight of 352.48 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine is sourced from PubChem (CID 110249868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).