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

C16H22N4O2 — CID 122139214

IUPAC3,4-dimethoxy-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
SMILESCOc1ccnc(CN2CCCC(c3ccn[nH]3)C2)c1OC
InChIInChI=1S/C16H22N4O2/c1-21-15-6-7-17-14(16(15)22-2)11-20-9-3-4-12(10-20)13-5-8-18-19-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyGBVZFYALRWMURL-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.20
Rot. Bonds5

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

3,4-dimethoxy-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine (PubChem CID 122139214) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3,4-dimethoxy-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3,4-dimethoxy-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
PubChem CID122139214
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3,4-dimethoxy-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
SMILESCOc1ccnc(CN2CCCC(c3ccn[nH]3)C2)c1OC
InChIInChI=1S/C16H22N4O2/c1-21-15-6-7-17-14(16(15)22-2)11-20-9-3-4-12(10-20)13-5-8-18-19-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyGBVZFYALRWMURL-UHFFFAOYSA-N
XLogP2.20
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 125016849
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propyl-1,4-diazepane
CID 103174277
N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 103173279
4-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methyl-5-pyridin-4-ylpyrimidine
CID 110213966
(3R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpiperazine
CID 103173642
2-ethoxy-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 95762195
1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol
CID 103173821
(3,4-dimethoxyphenyl)-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methanone
CID 95445434
2-[[3-(2-bromoethyl)pyrrolidin-1-yl]methyl]-3,4-dimethoxypyridine
CID 103174046
1-[(2-methylpyrazol-3-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 134696298
1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-yl]piperazine
CID 103173612
(3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 124568925

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 3,4-dimethoxy-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine (CID 122139214) is 3,4-dimethoxy-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3,4-dimethoxy-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3,4-dimethoxy-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine is COc1ccnc(CN2CCCC(c3ccn[nH]3)C2)c1OC.
What is the InChIKey of 3,4-dimethoxy-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine?
The InChIKey is GBVZFYALRWMURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-21-15-6-7-17-14(16(15)22-2)11-20-9-3-4-12(10-20)13-5-8-18-19-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,19).
What are the key properties of 3,4-dimethoxy-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine?
3,4-dimethoxy-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine has a molecular weight of 302.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 122139214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).