2-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine

C18H26N4 — CID 95708113

IUPAC2-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine
SMILESCCn1nc(C)c(CN2CCCC[C@@H]2c2ccccn2)c1C
InChIInChI=1S/C18H26N4/c1-4-22-15(3)16(14(2)20-22)13-21-12-8-6-10-18(21)17-9-5-7-11-19-17/h5,7,9,11,18H,4,6,8,10,12-13H2,1-3H3/t18-/m1/s1
InChIKeyQNPDWVMUFFNFQX-GOSISDBHSA-N
MW298.43 g/mol
LogP3.64
Rot. Bonds4

About 2-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine

2-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine (PubChem CID 95708113) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine
PubChem CID95708113
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name2-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine
SMILESCCn1nc(C)c(CN2CCCC[C@@H]2c2ccccn2)c1C
InChIInChI=1S/C18H26N4/c1-4-22-15(3)16(14(2)20-22)13-21-12-8-6-10-18(21)17-9-5-7-11-19-17/h5,7,9,11,18H,4,6,8,10,12-13H2,1-3H3/t18-/m1/s1
InChIKeyQNPDWVMUFFNFQX-GOSISDBHSA-N
XLogP3.64
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine
CID 91835201
7-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118248
6-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
CID 124989910
2-[1-(2-methylpropyl)piperidin-2-yl]pyridine
CID 102538970
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
2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine
CID 99943792
[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 19623284
3,5-dimethyl-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1H-pyridin-4-one
CID 91830839
5-propan-2-yl-3-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,2-oxazole
CID 124749238
2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 95839903
2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 45189094

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine?
The IUPAC name of 2-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine (CID 95708113) is 2-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 2-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine?
The canonical SMILES for 2-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine is CCn1nc(C)c(CN2CCCC[C@@H]2c2ccccn2)c1C.
What is the InChIKey of 2-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine?
The InChIKey is QNPDWVMUFFNFQX-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N4/c1-4-22-15(3)16(14(2)20-22)13-21-12-8-6-10-18(21)17-9-5-7-11-19-17/h5,7,9,11,18H,4,6,8,10,12-13H2,1-3H3/t18-/m1/s1.
What are the key properties of 2-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine?
2-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine has a molecular weight of 298.43 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 95708113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).