3-[[4-(2-methylphenoxy)piperidin-1-yl]methyl]pyridine

C18H22N2O — CID 56892936

IUPAC3-[[4-(2-methylphenoxy)piperidin-1-yl]methyl]pyridine
SMILESCc1ccccc1OC1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C18H22N2O/c1-15-5-2-3-7-18(15)21-17-8-11-20(12-9-17)14-16-6-4-10-19-13-16/h2-7,10,13,17H,8-9,11-12,14H2,1H3
InChIKeyLIUXJUZOXASSOV-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.43
Rot. Bonds4

About 3-[[4-(2-methylphenoxy)piperidin-1-yl]methyl]pyridine

3-[[4-(2-methylphenoxy)piperidin-1-yl]methyl]pyridine (PubChem CID 56892936) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[[4-(2-methylphenoxy)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-(2-methylphenoxy)piperidin-1-yl]methyl]pyridine
PubChem CID56892936
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-[[4-(2-methylphenoxy)piperidin-1-yl]methyl]pyridine
SMILESCc1ccccc1OC1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C18H22N2O/c1-15-5-2-3-7-18(15)21-17-8-11-20(12-9-17)14-16-6-4-10-19-13-16/h2-7,10,13,17H,8-9,11-12,14H2,1H3
InChIKeyLIUXJUZOXASSOV-UHFFFAOYSA-N
XLogP3.43
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 4040204
N-methyl-3-[[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]benzamide
CID 136543374
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
3-methyl-2-[(3S)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine
CID 42458383
2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593458
1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
CID 42556102
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine
CID 95862588
1-[[3-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxyphenyl]methyl]-4-(pyridin-3-ylmethyl)piperazine
CID 45218226
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
2-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methoxy]pyrazine
CID 165434595
1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-3-ylmethyl)piperazine
CID 828666

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-methylphenoxy)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[4-(2-methylphenoxy)piperidin-1-yl]methyl]pyridine (CID 56892936) is 3-[[4-(2-methylphenoxy)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[4-(2-methylphenoxy)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[4-(2-methylphenoxy)piperidin-1-yl]methyl]pyridine is Cc1ccccc1OC1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 3-[[4-(2-methylphenoxy)piperidin-1-yl]methyl]pyridine?
The InChIKey is LIUXJUZOXASSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-15-5-2-3-7-18(15)21-17-8-11-20(12-9-17)14-16-6-4-10-19-13-16/h2-7,10,13,17H,8-9,11-12,14H2,1H3.
What are the key properties of 3-[[4-(2-methylphenoxy)piperidin-1-yl]methyl]pyridine?
3-[[4-(2-methylphenoxy)piperidin-1-yl]methyl]pyridine has a molecular weight of 282.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methylphenoxy)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 56892936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).