2-ethyl-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine

C16H27N3O — CID 64832169

IUPAC2-ethyl-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine
SMILESCCC1(C)CNCCN1Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C16H27N3O/c1-6-16(4)11-17-7-8-19(16)10-14-13(3)15(20-5)12(2)9-18-14/h9,17H,6-8,10-11H2,1-5H3
InChIKeyFRPAAADBGHQAQQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.28
Rot. Bonds4

About 2-ethyl-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine

2-ethyl-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine (PubChem CID 64832169) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-ethyl-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine
PubChem CID64832169
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-ethyl-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine
SMILESCCC1(C)CNCCN1Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C16H27N3O/c1-6-16(4)11-17-7-8-19(16)10-14-13(3)15(20-5)12(2)9-18-14/h9,17H,6-8,10-11H2,1-5H3
InChIKeyFRPAAADBGHQAQQ-UHFFFAOYSA-N
XLogP2.28
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine;dihydrochloride
CID 119916634
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine
CID 171130228
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115304899
[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol
CID 66058388
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-ol
CID 65142759
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-ol
CID 62021333
1-(2-chloroethyl)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine
CID 63387078
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]ethanol
CID 103655825
2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine
CID 79452625
2-[(3-cyclopentylazetidin-3-yl)methyl]-4-methoxy-3,5-dimethylpyridine
CID 115927285
1-(2-chloroethyl)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4-diazepane
CID 63388026
2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]ethanethioamide
CID 63336983

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine?
The IUPAC name of 2-ethyl-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine (CID 64832169) is 2-ethyl-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine.
What is the SMILES notation for 2-ethyl-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine?
The canonical SMILES for 2-ethyl-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine is CCC1(C)CNCCN1Cc1ncc(C)c(OC)c1C.
What is the InChIKey of 2-ethyl-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine?
The InChIKey is FRPAAADBGHQAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-16(4)11-17-7-8-19(16)10-14-13(3)15(20-5)12(2)9-18-14/h9,17H,6-8,10-11H2,1-5H3.
What are the key properties of 2-ethyl-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine?
2-ethyl-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine has a molecular weight of 277.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 64832169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).