[3-(3-ethoxypiperidin-1-yl)pyrazin-2-yl]methanamine

C12H20N4O — CID 62673049

IUPAC[3-(3-ethoxypiperidin-1-yl)pyrazin-2-yl]methanamine
SMILESCCOC1CCCN(c2nccnc2CN)C1
InChIInChI=1S/C12H20N4O/c1-2-17-10-4-3-7-16(9-10)12-11(8-13)14-5-6-15-12/h5-6,10H,2-4,7-9,13H2,1H3
InChIKeyLRUFLTYDZODWJO-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.94
Rot. Bonds4

About [3-(3-ethoxypiperidin-1-yl)pyrazin-2-yl]methanamine

[3-(3-ethoxypiperidin-1-yl)pyrazin-2-yl]methanamine (PubChem CID 62673049) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [3-(3-ethoxypiperidin-1-yl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(3-ethoxypiperidin-1-yl)pyrazin-2-yl]methanamine
PubChem CID62673049
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[3-(3-ethoxypiperidin-1-yl)pyrazin-2-yl]methanamine
SMILESCCOC1CCCN(c2nccnc2CN)C1
InChIInChI=1S/C12H20N4O/c1-2-17-10-4-3-7-16(9-10)12-11(8-13)14-5-6-15-12/h5-6,10H,2-4,7-9,13H2,1H3
InChIKeyLRUFLTYDZODWJO-UHFFFAOYSA-N
XLogP0.94
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-ethoxypiperidin-1-yl)-3-pyridinyl]ethanamine
CID 114057439
2-[1-[3-(aminomethyl)pyrazin-2-yl]piperidin-3-yl]ethanol
CID 107227067
2-(3-ethoxypiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide
CID 54985539
5-bromo-6-(3-ethoxypiperidin-1-yl)pyridin-3-amine
CID 79532466
2-(3-ethoxypiperidin-1-yl)-3-nitropyridine
CID 133274264
[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrazin-2-yl]methanamine
CID 81198315
5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine
CID 133344752
[6-(3-ethoxypiperidin-1-yl)-5-ethylpyrimidin-4-yl]hydrazine
CID 80905523
3-(3-ethoxypiperidin-1-yl)pyridazine-4-carbonitrile
CID 80510417
6-(3-ethoxypiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 80806123
5-chloro-4-(3-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136989959
3-(3-propoxypiperidin-1-yl)pyrazine-2-carboximidamide
CID 62684381

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethoxypiperidin-1-yl)pyrazin-2-yl]methanamine?
The IUPAC name of [3-(3-ethoxypiperidin-1-yl)pyrazin-2-yl]methanamine (CID 62673049) is [3-(3-ethoxypiperidin-1-yl)pyrazin-2-yl]methanamine.
What is the SMILES notation for [3-(3-ethoxypiperidin-1-yl)pyrazin-2-yl]methanamine?
The canonical SMILES for [3-(3-ethoxypiperidin-1-yl)pyrazin-2-yl]methanamine is CCOC1CCCN(c2nccnc2CN)C1.
What is the InChIKey of [3-(3-ethoxypiperidin-1-yl)pyrazin-2-yl]methanamine?
The InChIKey is LRUFLTYDZODWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-17-10-4-3-7-16(9-10)12-11(8-13)14-5-6-15-12/h5-6,10H,2-4,7-9,13H2,1H3.
What are the key properties of [3-(3-ethoxypiperidin-1-yl)pyrazin-2-yl]methanamine?
[3-(3-ethoxypiperidin-1-yl)pyrazin-2-yl]methanamine has a molecular weight of 236.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethoxypiperidin-1-yl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 62673049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).