4-[[(3R)-1-[1-(5-ethoxy-1-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine

C21H32N4O — CID 146288313

IUPAC4-[[(3R)-1-[1-(5-ethoxy-1-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
SMILESCCOc1cc(C(C)N2CCC[C@H](Cc3cc(C)nc(C)c3)C2)nn1C
InChIInChI=1S/C21H32N4O/c1-6-26-21-13-20(23-24(21)5)17(4)25-9-7-8-18(14-25)12-19-10-15(2)22-16(3)11-19/h10-11,13,17-18H,6-9,12,14H2,1-5H3/t17?,18-/m1/s1
InChIKeyCVNVPCRMCXUDLY-QRWMCTBCSA-N
MW356.51 g/mol
LogP3.85
Rot. Bonds6

About 4-[[(3R)-1-[1-(5-ethoxy-1-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine

4-[[(3R)-1-[1-(5-ethoxy-1-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine (PubChem CID 146288313) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 4-[[(3R)-1-[1-(5-ethoxy-1-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine.

Molecular Properties

Compound Name4-[[(3R)-1-[1-(5-ethoxy-1-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
PubChem CID146288313
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name4-[[(3R)-1-[1-(5-ethoxy-1-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
SMILESCCOc1cc(C(C)N2CCC[C@H](Cc3cc(C)nc(C)c3)C2)nn1C
InChIInChI=1S/C21H32N4O/c1-6-26-21-13-20(23-24(21)5)17(4)25-9-7-8-18(14-25)12-19-10-15(2)22-16(3)11-19/h10-11,13,17-18H,6-9,12,14H2,1-5H3/t17?,18-/m1/s1
InChIKeyCVNVPCRMCXUDLY-QRWMCTBCSA-N
XLogP3.85
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[(3R)-1-[1-(5-ethoxy-1-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine with MolForge

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Related Compounds

4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146287985
2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine
CID 153376751
4-[[(3R)-1-[1-(5-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146287848
4-[[1-[1-(3-ethoxy-1H-pyrazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine
CID 146288089
4-[[1-[(4-bromo-2-ethoxy-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146288297
6-[1-[3-[[2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146286208
7-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 153376531
5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1-methylpyrazol-3-amine
CID 146287766
4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146283801
7-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]propyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 166766447
2-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-methylindole
CID 153457562
6-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]quinoxaline;sulfane
CID 161243207

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-1-[1-(5-ethoxy-1-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine?
The IUPAC name of 4-[[(3R)-1-[1-(5-ethoxy-1-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine (CID 146288313) is 4-[[(3R)-1-[1-(5-ethoxy-1-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine.
What is the SMILES notation for 4-[[(3R)-1-[1-(5-ethoxy-1-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine?
The canonical SMILES for 4-[[(3R)-1-[1-(5-ethoxy-1-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine is CCOc1cc(C(C)N2CCC[C@H](Cc3cc(C)nc(C)c3)C2)nn1C.
What is the InChIKey of 4-[[(3R)-1-[1-(5-ethoxy-1-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine?
The InChIKey is CVNVPCRMCXUDLY-QRWMCTBCSA-N. The full InChI is InChI=1S/C21H32N4O/c1-6-26-21-13-20(23-24(21)5)17(4)25-9-7-8-18(14-25)12-19-10-15(2)22-16(3)11-19/h10-11,13,17-18H,6-9,12,14H2,1-5H3/t17?,18-/m1/s1.
What are the key properties of 4-[[(3R)-1-[1-(5-ethoxy-1-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine?
4-[[(3R)-1-[1-(5-ethoxy-1-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine has a molecular weight of 356.51 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-1-[1-(5-ethoxy-1-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine is sourced from PubChem (CID 146288313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).