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

C16H22N4 — CID 154778650

IUPAC4-methyl-2-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]pyridine
SMILESCc1ccnc(CN2CCC(c3cn[nH]c3C)CC2)c1
InChIInChI=1S/C16H22N4/c1-12-3-6-17-15(9-12)11-20-7-4-14(5-8-20)16-10-18-19-13(16)2/h3,6,9-10,14H,4-5,7-8,11H2,1-2H3,(H,18,19)
InChIKeyQJSMPQUAGWHATH-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.80
Rot. Bonds3

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

4-methyl-2-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]pyridine (PubChem CID 154778650) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-methyl-2-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-methyl-2-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]pyridine
PubChem CID154778650
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-methyl-2-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]pyridine
SMILESCc1ccnc(CN2CCC(c3cn[nH]c3C)CC2)c1
InChIInChI=1S/C16H22N4/c1-12-3-6-17-15(9-12)11-20-7-4-14(5-8-20)16-10-18-19-13(16)2/h3,6,9-10,14H,4-5,7-8,11H2,1-2H3,(H,18,19)
InChIKeyQJSMPQUAGWHATH-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 136541469
cis-(1S,2R)-2-[4-(5-methyl-1H-pyrazol-4-yl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 167872863
2-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-4-carbonitrile
CID 118784728
2-[4-[[4-(3,5-dichlorophenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]-4-methylpyridine
CID 130361461
(4-benzyl-1H-pyrrol-2-yl)-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone
CID 154846097
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone
CID 126808000
1,1,1-trifluoro-2-methyl-3-[3-(4-methyl-2-pyridinyl)pyrrolidin-1-yl]propan-2-ol
CID 122154180
4-methyl-2-[[3-methyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridine
CID 154769202
N,N-dimethyl-1-[2-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine
CID 124963578
N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-amine
CID 79245636
1-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-imine
CID 131209228
[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine
CID 81312464

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 4-methyl-2-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]pyridine (CID 154778650) is 4-methyl-2-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 4-methyl-2-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 4-methyl-2-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]pyridine is Cc1ccnc(CN2CCC(c3cn[nH]c3C)CC2)c1.
What is the InChIKey of 4-methyl-2-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]pyridine?
The InChIKey is QJSMPQUAGWHATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12-3-6-17-15(9-12)11-20-7-4-14(5-8-20)16-10-18-19-13(16)2/h3,6,9-10,14H,4-5,7-8,11H2,1-2H3,(H,18,19).
What are the key properties of 4-methyl-2-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]pyridine?
4-methyl-2-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]pyridine has a molecular weight of 270.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 154778650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).