2-methyl-6-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine

C16H22N4 — CID 110106337

IUPAC2-methyl-6-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine
SMILESCc1cccc(CN2CCCC(Cc3ccn[nH]3)C2)n1
InChIInChI=1S/C16H22N4/c1-13-4-2-6-16(18-13)12-20-9-3-5-14(11-20)10-15-7-8-17-19-15/h2,4,6-8,14H,3,5,9-12H2,1H3,(H,17,19)
InChIKeyMCCKKJDRTAMLLM-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.57
Rot. Bonds4

About 2-methyl-6-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine

2-methyl-6-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine (PubChem CID 110106337) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-methyl-6-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine
PubChem CID110106337
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-methyl-6-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine
SMILESCc1cccc(CN2CCCC(Cc3ccn[nH]3)C2)n1
InChIInChI=1S/C16H22N4/c1-13-4-2-6-16(18-13)12-20-9-3-5-14(11-20)10-15-7-8-17-19-15/h2,4,6-8,14H,3,5,9-12H2,1H3,(H,17,19)
InChIKeyMCCKKJDRTAMLLM-UHFFFAOYSA-N
XLogP2.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124973195
1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 11160034
2-[[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-6-methylpyridine
CID 110095075
N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 79267719
2-methyl-6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 124976617
5,7-dimethyl-3-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 125027023
2-methyl-6-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 124952443
2-methyl-6-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 127246408
3-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]benzoic acid
CID 110106382
4,6-dimethyl-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]pyrimidine
CID 124951929
(3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 124997611
6-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 110118592

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 2-methyl-6-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine (CID 110106337) is 2-methyl-6-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-methyl-6-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-methyl-6-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine is Cc1cccc(CN2CCCC(Cc3ccn[nH]3)C2)n1.
What is the InChIKey of 2-methyl-6-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine?
The InChIKey is MCCKKJDRTAMLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13-4-2-6-16(18-13)12-20-9-3-5-14(11-20)10-15-7-8-17-19-15/h2,4,6-8,14H,3,5,9-12H2,1H3,(H,17,19).
What are the key properties of 2-methyl-6-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine?
2-methyl-6-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine has a molecular weight of 270.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 110106337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).