2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine

C16H22N4 — CID 91835201

IUPAC2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine
SMILESCCn1ccc(CN2CCCCC2c2ccccn2)n1
InChIInChI=1S/C16H22N4/c1-2-20-12-9-14(18-20)13-19-11-6-4-8-16(19)15-7-3-5-10-17-15/h3,5,7,9-10,12,16H,2,4,6,8,11,13H2,1H3
InChIKeyONHQURODOZEOCG-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.03
Rot. Bonds4

About 2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine

2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine (PubChem CID 91835201) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine
PubChem CID91835201
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine
SMILESCCn1ccc(CN2CCCCC2c2ccccn2)n1
InChIInChI=1S/C16H22N4/c1-2-20-12-9-14(18-20)13-19-11-6-4-8-16(19)15-7-3-5-10-17-15/h3,5,7,9-10,12,16H,2,4,6,8,11,13H2,1H3
InChIKeyONHQURODOZEOCG-UHFFFAOYSA-N
XLogP3.03
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine
CID 99943792
1-ethyl-3-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrazole
CID 91838829
2-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine
CID 95708113
2-methyl-4-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124755806
2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 77081994
5-propan-2-yl-3-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,2-oxazole
CID 124749238
7-methyl-2-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 124751830
2-[1-(2-methylpropyl)piperidin-2-yl]pyridine
CID 102538970
2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]pyridine
CID 56918216
4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95729061
2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 95839903
(2R)-1-[(1-ethylpyrazol-3-yl)methyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 124754791

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine?
The IUPAC name of 2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine (CID 91835201) is 2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine?
The canonical SMILES for 2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine is CCn1ccc(CN2CCCCC2c2ccccn2)n1.
What is the InChIKey of 2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine?
The InChIKey is ONHQURODOZEOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-20-12-9-14(18-20)13-19-11-6-4-8-16(19)15-7-3-5-10-17-15/h3,5,7,9-10,12,16H,2,4,6,8,11,13H2,1H3.
What are the key properties of 2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine?
2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine has a molecular weight of 270.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 91835201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).