1-(1,4-dimethylpiperazin-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine

C16H28N4O — CID 79663946

IUPAC1-(1,4-dimethylpiperazin-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
SMILESCOc1c(C)cnc(CC(N)C2CN(C)CCN2C)c1C
InChIInChI=1S/C16H28N4O/c1-11-9-18-14(12(2)16(11)21-5)8-13(17)15-10-19(3)6-7-20(15)4/h9,13,15H,6-8,10,17H2,1-5H3
InChIKeyFEKLDWCKSOMGJC-UHFFFAOYSA-N
MW292.43 g/mol
LogP0.82
Rot. Bonds4

About 1-(1,4-dimethylpiperazin-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine

1-(1,4-dimethylpiperazin-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine (PubChem CID 79663946) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
PubChem CID79663946
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
SMILESCOc1c(C)cnc(CC(N)C2CN(C)CCN2C)c1C
InChIInChI=1S/C16H28N4O/c1-11-9-18-14(12(2)16(11)21-5)8-13(17)15-10-19(3)6-7-20(15)4/h9,13,15H,6-8,10,17H2,1-5H3
InChIKeyFEKLDWCKSOMGJC-UHFFFAOYSA-N
XLogP0.82
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 79960403
[2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446308
2-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-1-ol
CID 64574563
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pentan-2-amine
CID 62601079
1-(4,4-difluorocyclohexyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 105136919
1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine
CID 79493128
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrimidin-5-ylethanamine
CID 102923368
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(2-methoxyethoxy)butan-2-amine
CID 102927982
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine
CID 115844000
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119917723
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 114503407
1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine
CID 79658342

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine (CID 79663946) is 1-(1,4-dimethylpiperazin-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine is COc1c(C)cnc(CC(N)C2CN(C)CCN2C)c1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
The InChIKey is FEKLDWCKSOMGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-11-9-18-14(12(2)16(11)21-5)8-13(17)15-10-19(3)6-7-20(15)4/h9,13,15H,6-8,10,17H2,1-5H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
1-(1,4-dimethylpiperazin-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine has a molecular weight of 292.43 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 79663946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).