N-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]ethanamine

C13H22N4 — CID 83062622

IUPACN-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2nccnc2C)CC1
InChIInChI=1S/C13H22N4/c1-3-14-10-12-4-8-17(9-5-12)13-11(2)15-6-7-16-13/h6-7,12,14H,3-5,8-10H2,1-2H3
InChIKeyUBSRYFOOUWDQCM-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.61
Rot. Bonds4

About N-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]ethanamine

N-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]ethanamine (PubChem CID 83062622) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]ethanamine
PubChem CID83062622
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2nccnc2C)CC1
InChIInChI=1S/C13H22N4/c1-3-14-10-12-4-8-17(9-5-12)13-11(2)15-6-7-16-13/h6-7,12,14H,3-5,8-10H2,1-2H3
InChIKeyUBSRYFOOUWDQCM-UHFFFAOYSA-N
XLogP1.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine
CID 55111529
N-[[1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 103386060
N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 63206358
2-methyl-3-(4-propan-2-ylpiperidin-1-yl)pyrazine
CID 174276377
N-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 131950838
N-[[1-(5-bromoisoquinolin-1-yl)piperidin-4-yl]methyl]ethanamine
CID 106540909
N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62592824
(3S)-1-(3-methylpyrazin-2-yl)pyrrolidin-3-amine;hydrochloride
CID 71639291
N-[[2-(4-propylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62284695
N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 114599563
2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 80551978
N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 62593889

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]ethanamine (CID 83062622) is N-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(c2nccnc2C)CC1.
What is the InChIKey of N-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is UBSRYFOOUWDQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-14-10-12-4-8-17(9-5-12)13-11(2)15-6-7-16-13/h6-7,12,14H,3-5,8-10H2,1-2H3.
What are the key properties of N-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]ethanamine?
N-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 234.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 83062622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).