2-[[(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-3-yl]oxymethyl]pyridine

C18H26N4O — CID 125167692

IUPAC2-[[(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-3-yl]oxymethyl]pyridine
SMILESCc1n[nH]c(C)c1CCN1CCC[C@@H](OCc2ccccn2)C1
InChIInChI=1S/C18H26N4O/c1-14-18(15(2)21-20-14)8-11-22-10-5-7-17(12-22)23-13-16-6-3-4-9-19-16/h3-4,6,9,17H,5,7-8,10-13H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyJUWMRKAXKWWNCZ-QGZVFWFLSA-N
MW314.43 g/mol
LogP2.65
Rot. Bonds6

About 2-[[(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-3-yl]oxymethyl]pyridine

2-[[(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-3-yl]oxymethyl]pyridine (PubChem CID 125167692) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[[(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-3-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name2-[[(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-3-yl]oxymethyl]pyridine
PubChem CID125167692
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-[[(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-3-yl]oxymethyl]pyridine
SMILESCc1n[nH]c(C)c1CCN1CCC[C@@H](OCc2ccccn2)C1
InChIInChI=1S/C18H26N4O/c1-14-18(15(2)21-20-14)8-11-22-10-5-7-17(12-22)23-13-16-6-3-4-9-19-16/h3-4,6,9,17H,5,7-8,10-13H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyJUWMRKAXKWWNCZ-QGZVFWFLSA-N
XLogP2.65
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-3-yl]oxymethyl]pyridine with MolForge

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Related Compounds

1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-propoxypiperidine
CID 118768919
3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole
CID 135101327
2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine
CID 56896073
2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
CID 95632872
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 56906695
4-pyridin-2-yl-2-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
CID 97456778
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 56914538
7-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 157017052
2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 95729769
(3S)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 125170232
5-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-1,3,4-thiadiazol-2-amine
CID 146039643
2-[[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 56904179

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-3-yl]oxymethyl]pyridine?
The IUPAC name of 2-[[(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-3-yl]oxymethyl]pyridine (CID 125167692) is 2-[[(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-3-yl]oxymethyl]pyridine.
What is the SMILES notation for 2-[[(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-3-yl]oxymethyl]pyridine?
The canonical SMILES for 2-[[(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-3-yl]oxymethyl]pyridine is Cc1n[nH]c(C)c1CCN1CCC[C@@H](OCc2ccccn2)C1.
What is the InChIKey of 2-[[(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-3-yl]oxymethyl]pyridine?
The InChIKey is JUWMRKAXKWWNCZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14-18(15(2)21-20-14)8-11-22-10-5-7-17(12-22)23-13-16-6-3-4-9-19-16/h3-4,6,9,17H,5,7-8,10-13H2,1-2H3,(H,20,21)/t17-/m1/s1.
What are the key properties of 2-[[(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-3-yl]oxymethyl]pyridine?
2-[[(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-3-yl]oxymethyl]pyridine has a molecular weight of 314.43 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-3-yl]oxymethyl]pyridine is sourced from PubChem (CID 125167692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).