3-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine

C16H22N4 — CID 110106195

IUPAC3-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
SMILESCc1cccnc1CN1CCCCC1c1[nH]ncc1C
InChIInChI=1S/C16H22N4/c1-12-6-5-8-17-14(12)11-20-9-4-3-7-15(20)16-13(2)10-18-19-16/h5-6,8,10,15H,3-4,7,9,11H2,1-2H3,(H,18,19)
InChIKeyMGACSVYWLVNFTB-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.15
Rot. Bonds3

About 3-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine

3-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine (PubChem CID 110106195) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
PubChem CID110106195
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
SMILESCc1cccnc1CN1CCCCC1c1[nH]ncc1C
InChIInChI=1S/C16H22N4/c1-12-6-5-8-17-14(12)11-20-9-4-3-7-15(20)16-13(2)10-18-19-16/h5-6,8,10,15H,3-4,7,9,11H2,1-2H3,(H,18,19)
InChIKeyMGACSVYWLVNFTB-UHFFFAOYSA-N
XLogP3.15
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine
CID 73439874
5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 125011600
(2S)-2-(4-methyl-1H-pyrazol-5-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 124999687
2-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-2-yl]cyclohexan-1-ol
CID 114339826
5-[(2S)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 95824213
5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 110256906
N'-hydroxy-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide
CID 112650471
[(2R)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 103897843
5-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 95826979
5-methyl-N-[2-[(2S)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 175658940
3-methyl-2-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyridine
CID 112650958
ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylate
CID 112550209

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 3-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine (CID 110106195) is 3-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine is Cc1cccnc1CN1CCCCC1c1[nH]ncc1C.
What is the InChIKey of 3-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine?
The InChIKey is MGACSVYWLVNFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12-6-5-8-17-14(12)11-20-9-4-3-7-15(20)16-13(2)10-18-19-16/h5-6,8,10,15H,3-4,7,9,11H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine?
3-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine has a molecular weight of 270.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 110106195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).