2-[(5-methoxy-3-methylpyrazol-1-yl)methyl]piperidine

C11H19N3O — CID 84722956

IUPAC2-[(5-methoxy-3-methylpyrazol-1-yl)methyl]piperidine
SMILESCOc1cc(C)nn1CC1CCCCN1
InChIInChI=1S/C11H19N3O/c1-9-7-11(15-2)14(13-9)8-10-5-3-4-6-12-10/h7,10,12H,3-6,8H2,1-2H3
InChIKeyDTGJRUCWPOCHNC-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.34
Rot. Bonds3

About 2-[(5-methoxy-3-methylpyrazol-1-yl)methyl]piperidine

2-[(5-methoxy-3-methylpyrazol-1-yl)methyl]piperidine (PubChem CID 84722956) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[(5-methoxy-3-methylpyrazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(5-methoxy-3-methylpyrazol-1-yl)methyl]piperidine
PubChem CID84722956
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[(5-methoxy-3-methylpyrazol-1-yl)methyl]piperidine
SMILESCOc1cc(C)nn1CC1CCCCN1
InChIInChI=1S/C11H19N3O/c1-9-7-11(15-2)14(13-9)8-10-5-3-4-6-12-10/h7,10,12H,3-6,8H2,1-2H3
InChIKeyDTGJRUCWPOCHNC-UHFFFAOYSA-N
XLogP1.34
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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5-methoxy-1-methyl-N-(3-piperidin-2-ylpropyl)pyrazol-3-amine
CID 114256072
7-(piperidin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane
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3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole
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2-[(5-cyclobutyltriazol-1-yl)methyl]piperidine
CID 115032296
5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
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2-[(5-chlorotriazol-1-yl)methyl]piperidine
CID 84776015
5-methoxy-2-(piperidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117132123
5-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)pyridazin-3-one
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2-(pyrrol-1-ylmethyl)piperidine
CID 54001676
2-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide
CID 104955365

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-3-methylpyrazol-1-yl)methyl]piperidine?
The IUPAC name of 2-[(5-methoxy-3-methylpyrazol-1-yl)methyl]piperidine (CID 84722956) is 2-[(5-methoxy-3-methylpyrazol-1-yl)methyl]piperidine.
What is the SMILES notation for 2-[(5-methoxy-3-methylpyrazol-1-yl)methyl]piperidine?
The canonical SMILES for 2-[(5-methoxy-3-methylpyrazol-1-yl)methyl]piperidine is COc1cc(C)nn1CC1CCCCN1.
What is the InChIKey of 2-[(5-methoxy-3-methylpyrazol-1-yl)methyl]piperidine?
The InChIKey is DTGJRUCWPOCHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-7-11(15-2)14(13-9)8-10-5-3-4-6-12-10/h7,10,12H,3-6,8H2,1-2H3.
What are the key properties of 2-[(5-methoxy-3-methylpyrazol-1-yl)methyl]piperidine?
2-[(5-methoxy-3-methylpyrazol-1-yl)methyl]piperidine has a molecular weight of 209.29 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-3-methylpyrazol-1-yl)methyl]piperidine is sourced from PubChem (CID 84722956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).